5-(hydroxymethyl)-2-methyl-4-(octanoyloxymethyl)-3-pyridin-2-yl-octanoic acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-(octanoyloxymethyl)-3-pyridin-2-yl-octanoic acid Openeye Name: 5-(hydroxymethyl)-2-methyl-4-(octanoyloxymethyl)-3-(2-pyridyl)octanoic acid CAS Name: 5-(hydroxymethyl)-2-methyl-4-(1-oxooctoxymethyl)-3-(2-pyridinyl)octanoic acid IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-(octanoyloxymethyl)-3-pyridin-2-yloctanoic acid Traditional Name: 4-(caprylyloxymethyl)-2-methyl-5-methylol-3-(2-pyridyl)caprylic acid Formula: C24H39NO5 MolecularWeight: 421.57016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C(CCC)CO)C(C1=CC=CC=N1)C(C)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCC(C(CCC)CO)C(C1=CC=CC=N1)C(C)C(=O)O

InChI

InChI=1S/C24H39NO5/c1-4-6-7-8-9-14-22(27)30-17-20(19(16-26)12-5-2)23(18(3)24(28)29)21-13-10-11-15-25-21/h10-11,13,15,18-20,23,26H,4-9,12,14,16-17H2,1-3H3,(H,28,29)