2-[[7-bromanyl-4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-bromanyl-4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-bromo-4-[(4-chloro-2-fluoro-phenyl)methyl]-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-bromo-4-(4-chloro-2-fluoro-benzyl)-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C23H23BrClFN2O6 MolecularWeight: 557.793923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)CC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)CC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C23H23BrClFN2O6/c1-11(2)20-23(32)28(10-12-4-5-14(25)8-16(12)26)19(22(31)27-9-18(29)30)15-6-13(24)7-17(33-3)21(15)34-20/h4-8,11,19-20H,9-10H2,1-3H3,(H,27,31)(H,29,30)