[(4-bromophenyl)-phenyl-methyl] 3-phenyl-3-piperidin-1-yl-propanoate hydrochloride

Systemtic Name: [(4-bromophenyl)-phenyl-methyl] 3-phenyl-3-piperidin-1-yl-propanoate hydrochloride Openeye Name: [(4-bromophenyl)-phenyl-methyl] 3-phenyl-3-(1-piperidyl)propanoate hydrochloride CAS Name: 3-phenyl-3-(1-piperidinyl)propanoic acid [(4-bromophenyl)-phenylmethyl] ester hydrochloride IUPAC Name: [(4-bromophenyl)-phenylmethyl] 3-phenyl-3-piperidin-1-ylpropanoate hydrochloride Traditional Name: 3-phenyl-3-piperidino-propionic acid [(4-bromophenyl)-phenyl-methyl] ester hydrochloride Formula: C27H29BrClNO2 MolecularWeight: 514.88166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(CC1)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H28BrNO2.ClH/c28-24-16-14-23(15-17-24)27(22-12-6-2-7-13-22)31-26(30)20-25(21-10-4-1-5-11-21)29-18-8-3-9-19-29;/h1-2,4-7,10-17,25,27H,3,8-9,18-20H2;1H