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

Systemtic Name: 2-[[7-bromanyl-4-[(2-chlorophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-bromo-4-[(2-chlorophenyl)methyl]-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-bromo-4-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-bromo-4-(2-chlorobenzyl)-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C23H24BrClN2O6 MolecularWeight: 539.80346

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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=CC=CC=C3Cl

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H24BrClN2O6/c1-12(2)20-23(31)27(11-13-6-4-5-7-16(13)25)19(22(30)26-10-18(28)29)15-8-14(24)9-17(32-3)21(15)33-20/h4-9,12,19-20H,10-11H2,1-3H3,(H,26,30)(H,28,29)