[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C18H23N3O3/c1-12-7-6-8-14(15(12)20)17(23)24-13(2)16(22)21-18(11-19)9-4-3-5-10-18/h6-8,13H,3-5,9-10,20H2,1-2H3,(H,21,22)/t13-/m1/s1