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

Systemtic Name: 4-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-2-isopropyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(4-ethoxyphenyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(4-ethoxyphenyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione Traditional Name: 2-isopropyl-4-(2-keto-2-p-phenetyl-ethyl)-1,4-benzoxazepine-3,5-quinone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CN2C(=O)C(OC3=CC=CC=C3C2=O)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CN2C(=O)C(OC3=CC=CC=C3C2=O)C(C)C

InChI

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