methyl 4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H19N3O3/c1-28-22(27)16-8-6-15(7-9-16)12-18(13-23)21(26)24-11-10-17-14-25-20-5-3-2-4-19(17)20/h2-9,12,14,25H,10-11H2,1H3,(H,24,26)/b18-12+