[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2CN(C3=CC=CC=C3O2)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=O)C

InChI

InChI=1S/C21H22N2O5/c1-14-7-3-4-8-16(14)11-22-20(25)13-27-21(26)19-12-23(15(2)24)17-9-5-6-10-18(17)28-19/h3-10,19H,11-13H2,1-2H3,(H,22,25)/t19-/m0/s1