[2-[2-(4-cyclohexylpiperazin-1-yl)-2-phenyl-ethyl]phenyl] propanoate dihydrochloride

Systemtic Name: [2-[2-(4-cyclohexylpiperazin-1-yl)-2-phenyl-ethyl]phenyl] propanoate dihydrochloride Openeye Name: [2-[2-(4-cyclohexylpiperazin-1-yl)-2-phenyl-ethyl]phenyl] propanoate dihydrochloride CAS Name: propanoic acid [2-[2-(4-cyclohexyl-1-piperazinyl)-2-phenylethyl]phenyl] ester dihydrochloride IUPAC Name: [2-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]phenyl] propanoate dihydrochloride Traditional Name: propionic acid [2-[2-(4-cyclohexylpiperazino)-2-phenyl-ethyl]phenyl] ester dihydrochloride Formula: C27H38Cl2N2O2 MolecularWeight: 493.50882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC=C1CC(C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4.Cl.Cl

Isomeric SMILES

CCC(=O)OC1=CC=CC=C1CC(C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4.Cl.Cl

InChI

InChI=1S/C27H36N2O2.2ClH/c1-2-27(30)31-26-16-10-9-13-23(26)21-25(22-11-5-3-6-12-22)29-19-17-28(18-20-29)24-14-7-4-8-15-24;;/h3,5-6,9-13,16,24-25H,2,4,7-8,14-15,17-21H2,1H3;2*1H