[(4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate

Systemtic Name: [(4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate Openeye Name: [(4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-4-piperidyl] 3-phenylbenzoate CAS Name: 3-phenylbenzoic acid [(4R)-3-[4-(3-chlorophenyl)-1-piperazinyl]-4-piperidinyl] ester IUPAC Name: [(4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate Traditional Name: 3-phenylbenzoic acid [(4R)-3-[4-(3-chlorophenyl)piperazino]-4-piperidyl] ester Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1OC(=O)C2=CC=CC(=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CNCC([C@@H]1OC(=O)C2=CC=CC(=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H30ClN3O2/c29-24-10-5-11-25(19-24)31-14-16-32(17-15-31)26-20-30-13-12-27(26)34-28(33)23-9-4-8-22(18-23)21-6-2-1-3-7-21/h1-11,18-19,26-27,30H,12-17,20H2/t26?,27-/m1/s1