[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N

InChI

InChI=1S/C22H29N3O3/c1-16-5-9-20(10-6-16)25(4)21(26)15-28-22(27)18(14-23)13-17-7-11-19(12-8-17)24(2)3/h7-8,11-13,16,20H,5-6,9-10,15H2,1-4H3/b18-13+