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

Systemtic Name: [3-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-3-yl]phenyl] benzoate hydrochloride Openeye Name: [3-[1-[(3-methylbenzofuran-2-yl)methyl]-3-piperidyl]phenyl] benzoate hydrochloride CAS Name: benzoic acid [3-[1-[(3-methyl-2-benzofuranyl)methyl]-3-piperidinyl]phenyl] ester hydrochloride IUPAC Name: [3-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-3-yl]phenyl] benzoate hydrochloride Traditional Name: benzoic acid [3-[1-[(3-methylbenzofuran-2-yl)methyl]-3-piperidyl]phenyl] ester hydrochloride Formula: C28H28ClNO3 MolecularWeight: 461.97982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)CN3CCCC(C3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)CN3CCCC(C3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C28H27NO3.ClH/c1-20-25-14-5-6-15-26(25)32-27(20)19-29-16-8-12-23(18-29)22-11-7-13-24(17-22)31-28(30)21-9-3-2-4-10-21;/h2-7,9-11,13-15,17,23H,8,12,16,18-19H2,1H3;1H