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

Systemtic Name: 8-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)-2-isopropyl-8-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-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)-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1-benzyl-4-piperidyl)-2-isopropyl-3-keto-8-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N2O5/c1-17(2)24-25(29)28(19-11-13-27(14-12-19)16-18-7-5-4-6-8-18)23(26(30)31)21-10-9-20(32-3)15-22(21)33-24/h4-10,15,17,19,23-24H,11-14,16H2,1-3H3,(H,30,31)