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

Systemtic Name: [(3R,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl] 3-phenylbenzoate Openeye Name: [(3R,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(4-fluorophenyl)carbamoyl]-4-piperidyl] 3-phenylbenzoate CAS Name: 3-phenylbenzoic acid [(3R,4R)-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[(4-fluoroanilino)-oxomethyl]-4-piperidinyl] ester IUPAC Name: [(3R,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl] 3-phenylbenzoate Traditional Name: 3-phenylbenzoic acid [(3R,4R)-3-[4-(3-chlorophenyl)piperazino]-1-[(4-fluorophenyl)carbamoyl]-4-piperidyl] ester Formula: C35H34ClFN4O3 MolecularWeight: 613.120863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1OC(=O)C2=CC=CC(=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl)C(=O)NC6=CC=C(C=C6)F

Isomeric SMILES

C1CN(C[C@H]([C@@H]1OC(=O)C2=CC=CC(=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl)C(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C35H34ClFN4O3/c36-28-10-5-11-31(23-28)39-18-20-40(21-19-39)32-24-41(35(43)38-30-14-12-29(37)13-15-30)17-16-33(32)44-34(42)27-9-4-8-26(22-27)25-6-2-1-3-7-25/h1-15,22-23,32-33H,16-21,24H2,(H,38,43)/t32-,33-/m1/s1