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

Systemtic Name: 7-bromanyl-3-oxidanylidene-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H19BrF3NO4 MolecularWeight: 486.27907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrF3NO4/c1-11(2)18-19(27)26(10-12-4-3-5-13(8-12)21(23,24)25)17(20(28)29)15-9-14(22)6-7-16(15)30-18/h3-9,11,17-18H,10H2,1-2H3,(H,28,29)