7-bromanyl-9-methoxy-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-9-methoxy-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1-benzyl-4-piperidyl)-7-bromo-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-9-methoxy-3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1-benzylpiperidin-4-yl)-7-bromo-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1-benzyl-4-piperidyl)-7-bromo-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C26H31BrN2O5 MolecularWeight: 531.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31BrN2O5/c1-16(2)23-25(30)29(19-9-11-28(12-10-19)15-17-7-5-4-6-8-17)22(26(31)32)20-13-18(27)14-21(33-3)24(20)34-23/h4-8,13-14,16,19,22-23H,9-12,15H2,1-3H3,(H,31,32)