[3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]phenyl] benzoate hydrochloride

Systemtic Name: [3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]phenyl] benzoate hydrochloride Openeye Name: [3-[1-(benzofuran-2-ylmethyl)-3-piperidyl]phenyl] benzoate hydrochloride CAS Name: benzoic acid [3-[1-(2-benzofuranylmethyl)-3-piperidinyl]phenyl] ester hydrochloride IUPAC Name: [3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]phenyl] benzoate hydrochloride Traditional Name: benzoic acid [3-[1-(benzofuran-2-ylmethyl)-3-piperidyl]phenyl] ester hydrochloride Formula: C27H26ClNO3 MolecularWeight: 447.95324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H25NO3.ClH/c29-27(20-8-2-1-3-9-20)31-24-13-6-11-21(16-24)23-12-7-15-28(18-23)19-25-17-22-10-4-5-14-26(22)30-25;/h1-6,8-11,13-14,16-17,23H,7,12,15,18-19H2;1H