4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-7-methoxy-3-oxidanylidene-2-phenyl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-7-methoxy-3-oxidanylidene-2-phenyl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(4-chloro-2-fluoro-phenyl)methyl]-7-methoxy-3-oxo-2-phenyl-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(4-chloro-2-fluorophenyl)methyl]-7-methoxy-3-oxo-2-phenyl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methyl]-7-methoxy-3-oxo-2-phenyl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(4-chloro-2-fluoro-benzyl)-3-keto-7-methoxy-2-phenyl-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C24H19ClFNO5 MolecularWeight: 455.862763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(C(=O)N(C2C(=O)O)CC3=C(C=C(C=C3)Cl)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(C(=O)N(C2C(=O)O)CC3=C(C=C(C=C3)Cl)F)C4=CC=CC=C4

InChI

InChI=1S/C24H19ClFNO5/c1-31-17-9-10-20-18(12-17)21(24(29)30)27(13-15-7-8-16(25)11-19(15)26)23(28)22(32-20)14-5-3-2-4-6-14/h2-12,21-22H,13H2,1H3,(H,29,30)