[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate

Systemtic Name: [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate Openeye Name: [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-piperidyl] 3-phenylbenzoate CAS Name: 3-phenylbenzoic acid [(4R)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-4-piperidinyl] ester IUPAC Name: [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate Traditional Name: 3-phenylbenzoic acid [(4R)-3-[4-(2-methoxyphenyl)piperazino]-4-piperidyl] ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CNCCC3OC(=O)C4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CNCC[C@H]3OC(=O)C4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3/c1-34-27-13-6-5-12-25(27)31-16-18-32(19-17-31)26-21-30-15-14-28(26)35-29(33)24-11-7-10-23(20-24)22-8-3-2-4-9-22/h2-13,20,26,28,30H,14-19,21H2,1H3/t26?,28-/m1/s1