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

Systemtic Name: (2S)-2-ethyl-4-[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: (2S)-2-ethyl-4-[2-(4-isopropoxyphenyl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: (2S)-2-ethyl-4-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: (2S)-2-ethyl-4-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: (2S)-2-ethyl-4-[2-(4-isopropoxyphenyl)-2-keto-ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-4-19-22(26)23(21(25)17-7-5-6-8-20(17)28-19)13-18(24)15-9-11-16(12-10-15)27-14(2)3/h5-12,14,19H,4,13H2,1-3H3/t19-/m0/s1