4-[2-[6-(2-carboxyethyl)-5-decoxy-pyridin-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[6-(2-carboxyethyl)-5-decoxy-pyridin-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[6-(2-carboxyethyl)-5-decoxy-2-pyridyl]ethynyl]benzoic acid CAS Name: 4-[2-[6-(2-carboxyethyl)-5-decoxy-2-pyridinyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[6-(2-carboxyethyl)-5-decoxypyridin-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[6-(2-carboxyethyl)-5-decoxy-2-pyridyl]ethynyl]benzoic acid Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(N=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(N=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C27H33NO5/c1-2-3-4-5-6-7-8-9-20-33-25-18-16-23(28-24(25)17-19-26(29)30)15-12-21-10-13-22(14-11-21)27(31)32/h10-11,13-14,16,18H,2-9,17,19-20H2,1H3,(H,29,30)(H,31,32)