[5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-2-pyridin-2-yl-pentyl] 4-azanyl-4-oxidanylidene-butanoate dihydrochloride

Systemtic Name: [5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-2-pyridin-2-yl-pentyl] 4-azanyl-4-oxidanylidene-butanoate dihydrochloride Openeye Name: [5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-phenyl-2-(2-pyridyl)pentyl] 4-amino-4-oxo-butanoate dihydrochloride CAS Name: 4-amino-4-oxobutanoic acid [5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-phenyl-2-(2-pyridinyl)pentyl] ester dihydrochloride IUPAC Name: [5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenyl-2-pyridin-2-ylpentyl] 4-amino-4-oxobutanoate dihydrochloride Traditional Name: 4-amino-4-keto-butyric acid [5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-phenyl-2-(2-pyridyl)pentyl] ester dihydrochloride Formula: C31H38Cl3N3O4 MolecularWeight: 623.01012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(COC(=O)CCC(=O)N)(C3=CC=CC=C3)C4=CC=CC=N4.Cl.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(COC(=O)CCC(=O)N)(C3=CC=CC=C3)C4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C31H36ClN3O4.2ClH/c32-26-12-10-25(11-13-26)31(38)17-21-35(22-18-31)20-6-16-30(24-7-2-1-3-8-24,27-9-4-5-19-34-27)23-39-29(37)15-14-28(33)36;;/h1-5,7-13,19,38H,6,14-18,20-23H2,(H2,33,36);2*1H