3-[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl]oxycarbonyl-5-ethylsulfanyloxy-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl]oxycarbonyl-5-ethylsulfanyloxy-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(4-chlorophenyl)-2-(2-pyridylmethoxy)-1-piperidyl]oxycarbonyl]-5-ethylsulfanyloxy-3-hydroxy-5-oxo-pentanoic acid CAS Name: 3-[[2-(4-chlorophenyl)-2-(2-pyridinylmethoxy)-1-piperidinyl]oxy-oxomethyl]-5-(ethylthio)oxy-3-hydroxy-5-oxopentanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl]oxycarbonyl-5-ethylsulfanyloxy-3-hydroxy-5-oxopentanoic acid Traditional Name: 3-[2-(4-chlorophenyl)-2-(2-pyridylmethoxy)piperidino]oxycarbonyl-5-(ethylthio)oxy-3-hydroxy-5-keto-valeric acid Formula: C25H29ClN2O8S MolecularWeight: 553.02436

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Descriptors Computed from Structure

Canonical SMILES:

CCSOC(=O)CC(CC(=O)O)(C(=O)ON1CCCCC1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=N3)O

Isomeric SMILES

CCSOC(=O)CC(CC(=O)O)(C(=O)ON1CCCCC1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=N3)O

InChI

InChI=1S/C25H29ClN2O8S/c1-2-37-36-22(31)16-24(33,15-21(29)30)23(32)35-28-14-6-4-12-25(28,18-8-10-19(26)11-9-18)34-17-20-7-3-5-13-27-20/h3,5,7-11,13,33H,2,4,6,12,14-17H2,1H3,(H,29,30)