(2S)-4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione

Systemtic Name: (2S)-4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione Openeye Name: (2S)-2-isopropyl-4-[2-oxo-2-(p-tolyl)ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: (2S)-4-[2-(4-methylphenyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione IUPAC Name: (2S)-4-[2-(4-methylphenyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione Traditional Name: (2S)-2-isopropyl-4-[2-keto-2-(p-tolyl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=O)C(OC3=CC=CC=C3C2=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=O)[C@@H](OC3=CC=CC=C3C2=O)C(C)C

InChI

InChI=1S/C21H21NO4/c1-13(2)19-21(25)22(12-17(23)15-10-8-14(3)9-11-15)20(24)16-6-4-5-7-18(16)26-19/h4-11,13,19H,12H2,1-3H3/t19-/m0/s1