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

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-10-6-4-7-12(13(10)17)15(20)21-11(2)14(19)18(3)9-5-8-16/h4,6-7,11H,5,9,17H2,1-3H3/t11-/m1/s1