[2-(4-decylpyridin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(4-decylpyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-decyl-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-decyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-decylpyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-decyl-2-pyridyl)phenyl] ester Formula: C30H45NO2 MolecularWeight: 451.6838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H45NO2/c1-4-6-7-8-9-10-11-12-18-26-22-23-31-28(24-26)27-19-14-15-20-29(27)33-30(32)21-16-13-17-25(3)5-2/h14-15,19-20,22-25H,4-13,16-18,21H2,1-3H3