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

Systemtic Name: [2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenoxyanilino)ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-(3-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenoxyanilino)ethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-keto-2-(3-phenoxyanilino)ethyl] ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C27H27N3O4/c1-4-13-30-19(2)14-21(20(30)3)15-22(17-28)27(32)33-18-26(31)29-23-9-8-12-25(16-23)34-24-10-6-5-7-11-24/h5-12,14-16H,4,13,18H2,1-3H3,(H,29,31)