[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)O[C@H](C)C(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C20H26N2O3/c1-15-7-9-17(10-8-15)13-18(23)25-16(2)19(24)22(3)20(14-21)11-5-4-6-12-20/h7-10,16H,4-6,11-13H2,1-3H3/t16-/m1/s1