[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C17H17ClN2O3/c1-10-5-3-4-6-15(10)20-16(21)11(2)23-17(22)12-7-8-13(18)14(19)9-12/h3-9,11H,19H2,1-2H3,(H,20,21)/t11-/m0/s1