1-[(2-cyanophenyl)methyl]indole-4-carboxylic acid

Systemtic Name: 1-[(2-cyanophenyl)methyl]indole-4-carboxylic acid Openeye Name: 1-[(2-cyanophenyl)methyl]indole-4-carboxylic acid CAS Name: 1-[(2-cyanophenyl)methyl]-4-indolecarboxylic acid IUPAC Name: 1-[(2-cyanophenyl)methyl]indole-4-carboxylic acid Traditional Name: 1-(2-cyanobenzyl)indole-4-carboxylic acid Formula: C17H12N2O2 MolecularWeight: 276.28938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC3=C(C=CC=C32)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC3=C(C=CC=C32)C(=O)O)C#N

InChI

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