[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H24N2O3/c1-15-7-6-8-17(13-15)9-10-18(23)25-16(2)19(24)22-20(14-21)11-4-3-5-12-20/h6-10,13,16H,3-5,11-12H2,1-2H3,(H,22,24)/b10-9+/t16-/m1/s1