3-[2-[6-(2-carboxyethyl)-5-decoxy-pyridin-2-yl]-1-oxidanyl-ethyl]benzoic acid

Systemtic Name: 3-[2-[6-(2-carboxyethyl)-5-decoxy-pyridin-2-yl]-1-oxidanyl-ethyl]benzoic acid Openeye Name: 3-[2-[6-(2-carboxyethyl)-5-decoxy-2-pyridyl]-1-hydroxy-ethyl]benzoic acid CAS Name: 3-[2-[6-(2-carboxyethyl)-5-decoxy-2-pyridinyl]-1-hydroxyethyl]benzoic acid IUPAC Name: 3-[2-[6-(2-carboxyethyl)-5-decoxypyridin-2-yl]-1-hydroxyethyl]benzoic acid Traditional Name: 3-[2-[6-(2-carboxyethyl)-5-decoxy-2-pyridyl]-1-hydroxy-ethyl]benzoic acid Formula: C27H37NO6 MolecularWeight: 471.58578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)O)O)CCC(=O)O

InChI

InChI=1S/C27H37NO6/c1-2-3-4-5-6-7-8-9-17-34-25-15-13-22(28-23(25)14-16-26(30)31)19-24(29)20-11-10-12-21(18-20)27(32)33/h10-13,15,18,24,29H,2-9,14,16-17,19H2,1H3,(H,30,31)(H,32,33)