[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N

InChI

InChI=1S/C23H25N3O3/c1-17-6-4-5-7-19(17)12-13-25-22(27)16-29-23(28)20(15-24)14-18-8-10-21(11-9-18)26(2)3/h4-11,14H,12-13,16H2,1-3H3,(H,25,27)/b20-14+