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

Systemtic Name: [(3R,4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl] 4-phenoxybenzoate Openeye Name: [(3R,4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]-4-piperidyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [(3R,4R)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1-[(3-methoxyanilino)-oxomethyl]-4-piperidinyl] ester IUPAC Name: [(3R,4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [(3R,4R)-3-[4-(4-fluorophenyl)piperazino]-1-[(3-methoxyphenyl)carbamoyl]-4-piperidyl] ester Formula: C36H37FN4O5 MolecularWeight: 624.701183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCC(C(C2)N3CCN(CC3)C4=CC=C(C=C4)F)OC(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CC[C@H]([C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)F)OC(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C36H37FN4O5/c1-44-32-9-5-6-28(24-32)38-36(43)41-19-18-34(33(25-41)40-22-20-39(21-23-40)29-14-12-27(37)13-15-29)46-35(42)26-10-16-31(17-11-26)45-30-7-3-2-4-8-30/h2-17,24,33-34H,18-23,25H2,1H3,(H,38,43)/t33-,34-/m1/s1