1-(2-pyridin-2-ylimidazol-1-yl)dodecan-2-yl hexanoate

Systemtic Name: 1-(2-pyridin-2-ylimidazol-1-yl)dodecan-2-yl hexanoate Openeye Name: 1-[[2-(2-pyridyl)imidazol-1-yl]methyl]undecyl hexanoate CAS Name: hexanoic acid 1-[2-(2-pyridinyl)-1-imidazolyl]dodecan-2-yl ester IUPAC Name: 1-(2-pyridin-2-ylimidazol-1-yl)dodecan-2-yl hexanoate Traditional Name: hexanoic acid 1-[[2-(2-pyridyl)imidazol-1-yl]methyl]undecyl ester Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CN1C=CN=C1C2=CC=CC=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCC(CN1C=CN=C1C2=CC=CC=N2)OC(=O)CCCCC

InChI

InChI=1S/C26H41N3O2/c1-3-5-7-8-9-10-11-13-16-23(31-25(30)18-12-6-4-2)22-29-21-20-28-26(29)24-17-14-15-19-27-24/h14-15,17,19-21,23H,3-13,16,18,22H2,1-2H3