4-(3-hexadecanoyloxybutan-2-yl)pyridine-3-carboxylic acid

Systemtic Name: 4-(3-hexadecanoyloxybutan-2-yl)pyridine-3-carboxylic acid Openeye Name: 4-(2-hexadecanoyloxy-1-methyl-propyl)pyridine-3-carboxylic acid CAS Name: 4-[3-(1-oxohexadecoxy)butan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 4-(3-hexadecanoyloxybutan-2-yl)pyridine-3-carboxylic acid Traditional Name: 4-(2-hexadecanoyloxy-1-methyl-propyl)nicotinic acid Formula: C26H43NO4 MolecularWeight: 433.62392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)C(C)C1=C(C=NC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C(C)C1=C(C=NC=C1)C(=O)O

InChI

InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)31-22(3)21(2)23-18-19-27-20-24(23)26(29)30/h18-22H,4-17H2,1-3H3,(H,29,30)