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

Systemtic Name: 2-[[7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-bromo-2-isopropyl-9-methoxy-3-oxo-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-bromo-9-methoxy-3-oxo-2-propan-2-yl-4-(3-pyridinylmethyl)-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-bromo-9-methoxy-3-oxo-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-bromo-2-isopropyl-3-keto-9-methoxy-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C22H24BrN3O6 MolecularWeight: 506.34646

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O6/c1-12(2)19-22(30)26(11-13-5-4-6-24-9-13)18(21(29)25-10-17(27)28)15-7-14(23)8-16(31-3)20(15)32-19/h4-9,12,18-19H,10-11H2,1-3H3,(H,25,29)(H,27,28)