[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C

InChI

InChI=1S/C27H27N3O3/c1-4-14-30-19(2)15-22(20(30)3)16-23(17-28)27(32)33-18-26(31)29-25-13-9-8-12-24(25)21-10-6-5-7-11-21/h5-13,15-16H,4,14,18H2,1-3H3,(H,29,31)/b23-16+