2-ethyl-2-[1-[1-[4-(4-methylphenyl)piperidin-1-yl]ethyl]cyclohexyl]oxycarbonyl-propanedioic acid

Systemtic Name: 2-ethyl-2-[1-[1-[4-(4-methylphenyl)piperidin-1-yl]ethyl]cyclohexyl]oxycarbonyl-propanedioic acid Openeye Name: 2-ethyl-2-[1-[1-[4-(p-tolyl)-1-piperidyl]ethyl]cyclohexoxy]carbonyl-propanedioic acid CAS Name: 2-ethyl-2-[[1-[1-[4-(4-methylphenyl)-1-piperidinyl]ethyl]cyclohexyl]oxy-oxomethyl]propanedioic acid IUPAC Name: 2-ethyl-2-[1-[1-[4-(4-methylphenyl)piperidin-1-yl]ethyl]cyclohexyl]oxycarbonylpropanedioic acid Traditional Name: 2-ethyl-2-[1-[1-[4-(p-tolyl)piperidino]ethyl]cyclohexoxy]carbonyl-malonic acid Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(C(=O)O)C(=O)OC1(CCCCC1)C(C)N2CCC(CC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)O)(C(=O)O)C(=O)OC1(CCCCC1)C(C)N2CCC(CC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H37NO6/c1-4-26(22(28)29,23(30)31)24(32)33-25(14-6-5-7-15-25)19(3)27-16-12-21(13-17-27)20-10-8-18(2)9-11-20/h8-11,19,21H,4-7,12-17H2,1-3H3,(H,28,29)(H,30,31)