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

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-acetamido-3-phenyl-prop-2-enoate CAS Name: 2-acetamido-3-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] 2-acetamido-3-phenylprop-2-enoate Traditional Name: 2-acetamido-3-phenyl-acrylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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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)NC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-17-12-18(2)14-21(13-17)27(11-7-10-25)23(29)16-31-24(30)22(26-19(3)28)15-20-8-5-4-6-9-20/h4-6,8-9,12-15H,7,11,16H2,1-3H3,(H,26,28)