methyl 3-[2-[cyclohexyl-(phenethylamino)methyl]-1-phenyl-piperidin-2-yl]propanoate dihydrochloride

Systemtic Name: methyl 3-[2-[cyclohexyl-(phenethylamino)methyl]-1-phenyl-piperidin-2-yl]propanoate dihydrochloride Openeye Name: methyl 3-[2-[cyclohexyl-(phenethylamino)methyl]-1-phenyl-2-piperidyl]propanoate dihydrochloride CAS Name: 3-[2-[cyclohexyl-(phenethylamino)methyl]-1-phenyl-2-piperidinyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-[2-[cyclohexyl-(phenethylamino)methyl]-1-phenylpiperidin-2-yl]propanoate dihydrochloride Traditional Name: 3-[2-[cyclohexyl-(phenethylamino)methyl]-1-phenyl-2-piperidyl]propionic acid methyl ester dihydrochloride Formula: C30H44Cl2N2O2 MolecularWeight: 535.58856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(CCCCN1C2=CC=CC=C2)C(C3CCCCC3)NCCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

COC(=O)CCC1(CCCCN1C2=CC=CC=C2)C(C3CCCCC3)NCCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C30H42N2O2.2ClH/c1-34-28(33)19-22-30(21-11-12-24-32(30)27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-20-25-13-5-2-6-14-25;;/h2,4-6,9-10,13-14,17-18,26,29,31H,3,7-8,11-12,15-16,19-24H2,1H3;2*1H