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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCNCC3OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCNC[C@H]3OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

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