5-cyano-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 5-cyano-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-cyano-indole-2-carboxylic acid CAS Name: 5-cyano-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-cyanoindole-2-carboxylic acid Traditional Name: 1-benzyl-5-cyano-indole-2-carboxylic acid Formula: C17H12N2O2 MolecularWeight: 276.28938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C#N)C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C#N)C=C2C(=O)O

InChI

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