[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-15-8-9-18(12-16(15)2)13-19(24)26-17(3)20(25)23(4)21(14-22)10-6-5-7-11-21/h8-9,12,17H,5-7,10-11,13H2,1-4H3/t17-/m1/s1