[4-phenyl-1-(1-phenylcyclohexyl)piperidin-4-yl] propanoate hydrate dihydrochloride

Systemtic Name: [4-phenyl-1-(1-phenylcyclohexyl)piperidin-4-yl] propanoate hydrate dihydrochloride Openeye Name: [4-phenyl-1-(1-phenylcyclohexyl)-4-piperidyl] propanoate hydrate dihydrochloride CAS Name: propanoic acid [4-phenyl-1-(1-phenylcyclohexyl)-4-piperidinyl] ester hydrate dihydrochloride IUPAC Name: [4-phenyl-1-(1-phenylcyclohexyl)piperidin-4-yl] propanoate hydrate dihydrochloride Traditional Name: propionic acid [4-phenyl-1-(1-phenylcyclohexyl)-4-piperidyl] ester hydrate dihydrochloride Formula: C52H70Cl2N2O5 MolecularWeight: 874.0286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.CCC(=O)OC1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.O.Cl.Cl

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.CCC(=O)OC1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.O.Cl.Cl

InChI

InChI=1S/2C26H33NO2.2ClH.H2O/c2*1-2-24(28)29-26(23-14-8-4-9-15-23)18-20-27(21-19-26)25(16-10-5-11-17-25)22-12-6-3-7-13-22;;;/h2*3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3;2*1H;1H2