2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]ethyl benzoate hydrochloride

Systemtic Name: 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]ethyl benzoate hydrochloride Openeye Name: 2-[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]ethyl benzoate hydrochloride CAS Name: benzoic acid 2-[4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]ethyl ester hydrochloride IUPAC Name: 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]ethyl benzoate hydrochloride Traditional Name: benzoic acid 2-[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]ethyl ester hydrochloride Formula: C31H32ClNO3 MolecularWeight: 502.04368

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)CCOC(=O)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4.Cl

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)CCOC(=O)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4.Cl

InChI

InChI=1S/C31H31NO3.ClH/c33-31(27-7-2-1-3-8-27)34-19-17-23-10-14-26(15-11-23)29-16-18-32-21-30(29)35-22-24-12-13-25-6-4-5-9-28(25)20-24;/h1-15,20,29-30,32H,16-19,21-22H2;1H