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385383-40-4,MFCD03001237
Catalog No.:AA00IW87
385383-40-4 | 2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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500mg
>95%
2 weeks  
$198.00
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1g
>95%
2 weeks  
$239.00
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5g
>95%
2 weeks  
$483.00
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Technical Information
Catalog Number:
AA00IW87
Chemical Name:
2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CAS Number:
385383-40-4
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
MDL Number:
MFCD03001237
IUPAC Name:
2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
InChI:
InChI=1S/C22H23NO4/c1-27-18-13-7-6-12-17(18)20-19(22(25)26)15-10-4-5-11-16(15)21(24)23(20)14-8-2-3-9-14/h4-7,10-14,19-20H,2-3,8-9H2,1H3,(H,25,26)
InChI Key:
IAWYODOZPPLOTK-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1N(C2CCCC2)C(=O)c2c(C1C(=O)O)cccc2
Properties
Computed Properties
 
Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid 
385383-40-4 
TR-062708 
11R-0325 
CID2763388 
C-4251 
2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic Acid 
2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid 
AC1MC87V 
CTK7B0896 
KS-00001SA9 
MFCD03001237 
AKOS005069591 
RP17020 
Literature
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