[2-(4-dodecylpyridin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(4-dodecylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-dodecyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-dodecyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-dodecylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-lauryl-2-pyridyl)phenyl] ester Formula: C30H45NO2 MolecularWeight: 451.6838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C30H45NO2/c1-4-6-7-8-9-10-11-12-13-14-17-26-22-23-31-28(24-26)27-18-15-16-19-29(27)33-30(32)21-20-25(3)5-2/h15-16,18-19,22-25H,4-14,17,20-21H2,1-3H3