3-hexadecoxycarbonylpyridine-2-carboxylic acid

Systemtic Name: 3-hexadecoxycarbonylpyridine-2-carboxylic acid Openeye Name: 3-hexadecoxycarbonylpyridine-2-carboxylic acid CAS Name: 3-[hexadecoxy(oxo)methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-hexadecoxycarbonylpyridine-2-carboxylic acid Traditional Name: 3-cetyloxycarbonylpicolinic acid Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(N=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(N=CC=C1)C(=O)O

InChI

InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(27)20-17-16-18-24-21(20)22(25)26/h16-18H,2-15,19H2,1H3,(H,25,26)