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

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(benzhydrylamino)-2-oxo-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-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 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-(benzhydrylamino)-2-keto-ethyl] ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-4-15-31-20(2)16-24(21(31)3)17-25(18-29)28(33)34-19-26(32)30-27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,16-17,27H,4,15,19H2,1-3H3,(H,30,32)