[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3-methoxybenzoate hydrochloride

Systemtic Name: [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3-methoxybenzoate hydrochloride Openeye Name: [4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methyl 3-methoxybenzoate hydrochloride CAS Name: 3-methoxybenzoic acid [4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methyl ester hydrochloride IUPAC Name: [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3-methoxybenzoate hydrochloride Traditional Name: 3-methoxybenzoic acid [4-[3-(2-naphthylmethoxy)-4-piperidyl]benzyl] ester hydrochloride Formula: C31H32ClNO4 MolecularWeight: 518.04308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3CCNCC3OCC4=CC5=CC=CC=C5C=C4.Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3CCNCC3OCC4=CC5=CC=CC=C5C=C4.Cl

InChI

InChI=1S/C31H31NO4.ClH/c1-34-28-8-4-7-27(18-28)31(33)36-20-22-9-13-25(14-10-22)29-15-16-32-19-30(29)35-21-23-11-12-24-5-2-3-6-26(24)17-23;/h2-14,17-18,29-30,32H,15-16,19-21H2,1H3;1H