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

Systemtic Name: (2S)-4-[2-(3-ethoxyphenyl)-2-oxidanylidene-ethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione Openeye Name: (2S)-4-[2-(3-ethoxyphenyl)-2-oxo-ethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione CAS Name: (2S)-4-[2-(3-ethoxyphenyl)-2-oxoethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione IUPAC Name: (2S)-4-[2-(3-ethoxyphenyl)-2-oxoethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione Traditional Name: (2S)-2-ethyl-4-(2-keto-2-m-phenetyl-ethyl)-1,4-benzoxazepine-3,5-quinone Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CC[C@H]1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C21H21NO5/c1-3-18-21(25)22(20(24)16-10-5-6-11-19(16)27-18)13-17(23)14-8-7-9-15(12-14)26-4-2/h5-12,18H,3-4,13H2,1-2H3/t18-/m0/s1