methyl 3-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-(3-anilino-2-cyano-3-oxo-prop-1-enyl)indol-1-yl]methyl]benzoate CAS Name: 3-[[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-(3-anilino-2-cyano-3-keto-prop-1-enyl)indol-1-yl]methyl]benzoic acid methyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H21N3O3/c1-33-27(32)20-9-7-8-19(14-20)17-30-18-22(24-12-5-6-13-25(24)30)15-21(16-28)26(31)29-23-10-3-2-4-11-23/h2-15,18H,17H2,1H3,(H,29,31)