[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H21N3O3/c1-15-5-7-16(8-6-15)11-17(12-21)19(25)26-13-18(24)23-20(14-22)9-3-2-4-10-20/h5-8,11H,2-4,9-10,13H2,1H3,(H,23,24)/b17-11+