4-[1-cyano-2-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-3-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[2-[1-(2-anilino-2-oxo-ethyl)indol-3-yl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[1-(2-anilino-2-oxoethyl)-3-indolyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[1-(2-anilino-2-oxoethyl)indol-3-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[1-(2-anilino-2-keto-ethyl)indol-3-yl]-1-cyano-vinyl]benzoic acid Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H19N3O3/c27-15-20(18-10-12-19(13-11-18)26(31)32)14-21-16-29(24-9-5-4-8-23(21)24)17-25(30)28-22-6-2-1-3-7-22/h1-14,16H,17H2,(H,28,30)(H,31,32)