5-(hexadecoxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 5-(hexadecoxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 5-(hexadecoxymethyl)-3-hydroxy-2-methyl-pyridine-4-carboxylic acid CAS Name: 5-(hexadecoxymethyl)-3-hydroxy-2-methyl-4-pyridinecarboxylic acid IUPAC Name: 5-(hexadecoxymethyl)-3-hydroxy-2-methylpyridine-4-carboxylic acid Traditional Name: 5-(cetyloxymethyl)-3-hydroxy-2-methyl-isonicotinic acid Formula: C24H41NO4 MolecularWeight: 407.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1=CN=C(C(=C1C(=O)O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1=CN=C(C(=C1C(=O)O)O)C

InChI

InChI=1S/C24H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-19-21-18-25-20(2)23(26)22(21)24(27)28/h18,26H,3-17,19H2,1-2H3,(H,27,28)