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

Systemtic Name: [(3R,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl] 3-phenylbenzoate Openeye Name: [(3R,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]-4-piperidyl] 3-phenylbenzoate CAS Name: 3-phenylbenzoic acid [(3R,4R)-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[(3-methoxyanilino)-oxomethyl]-4-piperidinyl] ester IUPAC Name: [(3R,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl] 3-phenylbenzoate Traditional Name: 3-phenylbenzoic acid [(3R,4R)-3-[4-(3-chlorophenyl)piperazino]-1-[(3-methoxyphenyl)carbamoyl]-4-piperidyl] ester Formula: C36H37ClN4O4 MolecularWeight: 625.15638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H37ClN4O4/c1-44-32-15-7-13-30(24-32)38-36(43)41-17-16-34(45-35(42)28-11-5-10-27(22-28)26-8-3-2-4-9-26)33(25-41)40-20-18-39(19-21-40)31-14-6-12-29(37)23-31/h2-15,22-24,33-34H,16-21,25H2,1H3,(H,38,43)/t33-,34-/m1/s1