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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-18-13-21(19(2)28(18)23-11-7-4-8-12-23)14-22(15-26)25(30)31-17-24(29)27-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-14,23H,4,7-8,11-12,16-17H2,1-2H3,(H,27,29)/b22-14+