hexadecyl 6-(1H-imidazol-2-yl)pyridine-3-carboxylate

Systemtic Name: hexadecyl 6-(1H-imidazol-2-yl)pyridine-3-carboxylate Openeye Name: hexadecyl 6-(1H-imidazol-2-yl)pyridine-3-carboxylate CAS Name: 6-(1H-imidazol-2-yl)-3-pyridinecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 6-(1H-imidazol-2-yl)pyridine-3-carboxylate Traditional Name: 6-(1H-imidazol-2-yl)nicotinic acid cetyl ester Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CN=C(C=C1)C2=NC=CN2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CN=C(C=C1)C2=NC=CN2

InChI

InChI=1S/C25H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(29)22-16-17-23(28-21-22)24-26-18-19-27-24/h16-19,21H,2-15,20H2,1H3,(H,26,27)