[2-naphthalen-1-yl-4-[4-(phenylmethyl)piperidin-1-yl]butyl] benzoate hydrochloride

Systemtic Name: [2-naphthalen-1-yl-4-[4-(phenylmethyl)piperidin-1-yl]butyl] benzoate hydrochloride Openeye Name: [4-(4-benzyl-1-piperidyl)-2-(1-naphthyl)butyl] benzoate hydrochloride CAS Name: benzoic acid [2-(1-naphthalenyl)-4-[4-(phenylmethyl)-1-piperidinyl]butyl] ester hydrochloride IUPAC Name: [4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] benzoate hydrochloride Traditional Name: benzoic acid [4-(4-benzylpiperidino)-2-(1-naphthyl)butyl] ester hydrochloride Formula: C33H36ClNO2 MolecularWeight: 514.09744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC(COC(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54.Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC(COC(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54.Cl

InChI

InChI=1S/C33H35NO2.ClH/c35-33(29-13-5-2-6-14-29)36-25-30(32-17-9-15-28-12-7-8-16-31(28)32)20-23-34-21-18-27(19-22-34)24-26-10-3-1-4-11-26;/h1-17,27,30H,18-25H2;1H