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

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(4-chloro-2-fluoro-phenyl)methyl]-2-isopropyl-8-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(4-chloro-2-fluorophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(4-chloro-2-fluoro-benzyl)-2-isopropyl-3-keto-8-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H21ClFNO5 MolecularWeight: 421.846543

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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=C(C=C3)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFNO5/c1-11(2)19-20(25)24(10-12-4-5-13(22)8-16(12)23)18(21(26)27)15-7-6-14(28-3)9-17(15)29-19/h4-9,11,18-19H,10H2,1-3H3,(H,26,27)