1-[1-(4-chlorophenyl)propoxy]-3,4-bis(oxidanyl)-5-pyridin-2-ylcarbonyloxy-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[1-(4-chlorophenyl)propoxy]-3,4-bis(oxidanyl)-5-pyridin-2-ylcarbonyloxy-cyclohexane-1-carboxylic acid Openeye Name: 1-[1-(4-chlorophenyl)propoxy]-3,4-dihydroxy-5-(pyridine-2-carbonyloxy)cyclohexanecarboxylic acid CAS Name: 1-[1-(4-chlorophenyl)propoxy]-3,4-dihydroxy-5-[oxo(2-pyridinyl)methoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[1-(4-chlorophenyl)propoxy]-3,4-dihydroxy-5-(pyridine-2-carbonyloxy)cyclohexane-1-carboxylic acid Traditional Name: 1-[1-(4-chlorophenyl)propoxy]-3,4-dihydroxy-5-picolinoyloxy-cyclohexanecarboxylic acid Formula: C22H24ClNO7 MolecularWeight: 449.88146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Cl)OC2(CC(C(C(C2)OC(=O)C3=CC=CC=N3)O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)Cl)OC2(CC(C(C(C2)OC(=O)C3=CC=CC=N3)O)O)C(=O)O

InChI

InChI=1S/C22H24ClNO7/c1-2-17(13-6-8-14(23)9-7-13)31-22(21(28)29)11-16(25)19(26)18(12-22)30-20(27)15-5-3-4-10-24-15/h3-10,16-19,25-26H,2,11-12H2,1H3,(H,28,29)