4-[[2,6-bis(fluoranyl)phenyl]methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[[2,6-bis(fluoranyl)phenyl]methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(2,6-difluorophenyl)methyl]-2-isopropyl-8-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(2,6-difluorophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(2,6-difluorophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(2,6-difluorobenzyl)-2-isopropyl-3-keto-8-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H21F2NO5 MolecularWeight: 405.391946

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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=C(C=CC=C3F)F

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C21H21F2NO5/c1-11(2)19-20(25)24(10-14-15(22)5-4-6-16(14)23)18(21(26)27)13-8-7-12(28-3)9-17(13)29-19/h4-9,11,18-19H,10H2,1-3H3,(H,26,27)