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

Systemtic Name: [(4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate Openeye Name: [(4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-piperidyl] 3-phenylbenzoate CAS Name: 3-phenylbenzoic acid [(4R)-3-[4-(4-fluorophenyl)-1-piperazinyl]-4-piperidinyl] ester IUPAC Name: [(4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate Traditional Name: 3-phenylbenzoic acid [(4R)-3-[4-(4-fluorophenyl)piperazino]-4-piperidyl] ester Formula: C28H30FN3O2 MolecularWeight: 459.555103

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O2/c29-24-9-11-25(12-10-24)31-15-17-32(18-16-31)26-20-30-14-13-27(26)34-28(33)23-8-4-7-22(19-23)21-5-2-1-3-6-21/h1-12,19,26-27,30H,13-18,20H2/t26?,27-/m1/s1