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

Systemtic Name: 2-[[7-bromanyl-9-methoxy-3-oxidanylidene-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-bromo-2-isopropyl-9-methoxy-3-oxo-4-(2-phenylcyclopropyl)-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-bromo-9-methoxy-3-oxo-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-bromo-9-methoxy-3-oxo-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-bromo-2-isopropyl-3-keto-9-methoxy-4-(2-phenylcyclopropyl)-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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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)C3CC3C4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C25H27BrN2O6/c1-13(2)22-25(32)28(18-11-16(18)14-7-5-4-6-8-14)21(24(31)27-12-20(29)30)17-9-15(26)10-19(33-3)23(17)34-22/h4-10,13,16,18,21-22H,11-12H2,1-3H3,(H,27,31)(H,29,30)