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

Systemtic Name: 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-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 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)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1-benzyl-4-piperidyl)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-17(2)23-24(28)27(22(25(29)30)20-10-6-7-11-21(20)31-23)19-12-14-26(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,19,22-23H,12-16H2,1-2H3,(H,29,30)