[(E)-octadec-9-enoyl] 2-(1-hydroxyethyl)pyridine-3-carboxylate

Systemtic Name: [(E)-octadec-9-enoyl] 2-(1-hydroxyethyl)pyridine-3-carboxylate Openeye Name: [(E)-octadec-9-enoyl] 2-(1-hydroxyethyl)pyridine-3-carboxylate CAS Name: 2-(1-hydroxyethyl)-3-pyridinecarboxylic acid [(E)-1-oxooctadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enoyl] 2-(1-hydroxyethyl)pyridine-3-carboxylate Traditional Name: 2-(1-hydroxyethyl)nicotinic acid [(E)-octadec-9-enoyl] ester Formula: C26H41NO4 MolecularWeight: 431.60804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C1=C(N=CC=C1)C(C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C1=C(N=CC=C1)C(C)O

InChI

InChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(29)31-26(30)23-19-18-21-27-25(23)22(2)28/h10-11,18-19,21-22,28H,3-9,12-17,20H2,1-2H3/b11-10+