4-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-(2,6-difluorobenzyl)-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H20BrF2NO5 MolecularWeight: 484.288006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)CC3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C21H20BrF2NO5/c1-10(2)18-20(26)25(9-13-14(23)5-4-6-15(13)24)17(21(27)28)12-7-11(22)8-16(29-3)19(12)30-18/h4-8,10,17-18H,9H2,1-3H3,(H,27,28)