4-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-isopropyl-8-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-isopropyl-3-keto-8-methoxy-4-piperonyl-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23NO7/c1-12(2)20-21(24)23(10-13-4-7-16-18(8-13)29-11-28-16)19(22(25)26)15-6-5-14(27-3)9-17(15)30-20/h4-9,12,19-20H,10-11H2,1-3H3,(H,25,26)