[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidobenzoate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidobenzoate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O4/c1-12-7-5-8-13(2)18(12)22-19(24)14(3)26-20(25)16-9-6-10-17(11-16)21-15(4)23/h5-11,14H,1-4H3,(H,21,23)(H,22,24)/t14-/m0/s1