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

Systemtic Name: [(3R,4R)-1-[(4-fluorophenyl)carbamoyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-4-yl] 4-phenoxybenzoate Openeye Name: [(3R,4R)-1-[(4-fluorophenyl)carbamoyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-piperidyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [(3R,4R)-1-[(4-fluoroanilino)-oxomethyl]-3-[4-(4-fluorophenyl)-1-piperazinyl]-4-piperidinyl] ester IUPAC Name: [(3R,4R)-1-[(4-fluorophenyl)carbamoyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-4-yl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [(3R,4R)-1-[(4-fluorophenyl)carbamoyl]-3-[4-(4-fluorophenyl)piperazino]-4-piperidyl] ester Formula: C35H34F2N4O4 MolecularWeight: 612.665666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1OC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)C(=O)NC6=CC=C(C=C6)F

Isomeric SMILES

C1CN(C[C@H]([C@@H]1OC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)C(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C35H34F2N4O4/c36-26-8-12-28(13-9-26)38-35(43)41-19-18-33(32(24-41)40-22-20-39(21-23-40)29-14-10-27(37)11-15-29)45-34(42)25-6-16-31(17-7-25)44-30-4-2-1-3-5-30/h1-17,32-33H,18-24H2,(H,38,43)/t32-,33-/m1/s1