8-methoxy-3-oxidanylidene-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 8-methoxy-3-oxidanylidene-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 2-isopropyl-8-methoxy-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-methoxy-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 8-methoxy-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-isopropyl-3-keto-8-methoxy-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H22F3NO5 MolecularWeight: 437.40899

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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=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3NO5/c1-12(2)19-20(27)26(11-13-5-4-6-14(9-13)22(23,24)25)18(21(28)29)16-8-7-15(30-3)10-17(16)31-19/h4-10,12,18-19H,11H2,1-3H3,(H,28,29)