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

Systemtic Name: 4-(3-decanoyloxybutan-2-yl)pyridine-3-carboxylic acid Openeye Name: 4-(2-decanoyloxy-1-methyl-propyl)pyridine-3-carboxylic acid CAS Name: 4-[3-(1-oxodecoxy)butan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 4-(3-decanoyloxybutan-2-yl)pyridine-3-carboxylic acid Traditional Name: 4-(2-capryloxy-1-methyl-propyl)nicotinic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-11-19(22)25-16(3)15(2)17-12-13-21-14-18(17)20(23)24/h12-16H,4-11H2,1-3H3,(H,23,24)