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

Systemtic Name: 4-[[2,6-bis(fluoranyl)phenyl]methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(2,6-difluorophenyl)methyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(2,6-difluorophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(2,6-difluorophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(2,6-difluorobenzyl)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H19F2NO4 MolecularWeight: 375.365966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2NO4/c1-11(2)18-19(24)23(10-13-14(21)7-5-8-15(13)22)17(20(25)26)12-6-3-4-9-16(12)27-18/h3-9,11,17-18H,10H2,1-2H3,(H,25,26)