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

Systemtic Name: [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 4-oxidanylbenzoate hydrochloride Openeye Name: [4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methyl 4-hydroxybenzoate hydrochloride CAS Name: 4-hydroxybenzoic acid [4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methyl ester hydrochloride IUPAC Name: [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 4-hydroxybenzoate hydrochloride Traditional Name: 4-hydroxybenzoic acid [4-[3-(2-naphthylmethoxy)-4-piperidyl]benzyl] ester hydrochloride Formula: C30H30ClNO4 MolecularWeight: 504.0165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO4.ClH/c32-27-13-11-25(12-14-27)30(33)35-19-21-5-9-24(10-6-21)28-15-16-31-18-29(28)34-20-22-7-8-23-3-1-2-4-26(23)17-22;/h1-14,17,28-29,31-32H,15-16,18-20H2;1H