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1-[(3-cyanophenyl)methyl]indole-3-carboxylic acid

1-[(3-cyanophenyl)methyl]indole-3-carboxylic acid

Systemtic Name:1-[(3-cyanophenyl)methyl]indole-3-carboxylic acid
Openeye Name:1-[(3-cyanophenyl)methyl]indole-3-carboxylic acid
CAS Name:1-[(3-cyanophenyl)methyl]-3-indolecarboxylic acid
IUPAC Name:1-[(3-cyanophenyl)methyl]indole-3-carboxylic acid
Traditional Name:1-(3-cyanobenzyl)indole-3-carboxylic acid
Formula: C17H12N2O2
MolecularWeight: 276.28938
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C#N)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C#N)C(=O)O


InChI

InChI=1S/C17H12N2O2/c18-9-12-4-3-5-13(8-12)10-19-11-15(17(20)21)14-6-1-2-7-16(14)19/h1-8,11H,10H2,(H,20,21)


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