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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-7-bromo-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-7-bromo-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-7-bromo-9-methoxy-3-oxo-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-piperonyl-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid Formula: C24H25BrN2O8 MolecularWeight: 549.3679

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25BrN2O8/c1-12(2)21-24(31)27(10-13-4-5-16-17(6-13)34-11-33-16)20(23(30)26-9-19(28)29)15-7-14(25)8-18(32-3)22(15)35-21/h4-8,12,20-21H,9-11H2,1-3H3,(H,26,30)(H,28,29)