methyl 4-[phenethyl(piperidin-1-ylcarbonyl)amino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[phenethyl(piperidin-1-ylcarbonyl)amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[phenethyl(piperidine-1-carbonyl)amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[oxo(1-piperidinyl)methyl]-phenethylamino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[phenethyl(piperidine-1-carbonyl)amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[phenethyl(piperidine-1-carbonyl)amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C22H33ClN2O3 MolecularWeight: 408.96202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)N3CCCCC3.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)N3CCCCC3.Cl

InChI

InChI=1S/C22H32N2O3.ClH/c1-27-21(25)19-10-12-20(13-11-19)24(17-14-18-8-4-2-5-9-18)22(26)23-15-6-3-7-16-23;/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3;1H