[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: 3-(3-methoxyphenyl)-2-phenyl-2-propenoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: 3-(3-methoxyphenyl)-2-phenyl-acrylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C(=CC2=CC(=CC=C2)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C(=CC2=CC(=CC=C2)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C29H28N2O4/c1-21-15-22(2)17-25(16-21)31(14-8-13-30)28(32)20-35-29(33)27(24-10-5-4-6-11-24)19-23-9-7-12-26(18-23)34-3/h4-7,9-12,15-19H,8,14,20H2,1-3H3