[4-(5-dodecoxypyridin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-dodecoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-dodecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-lauryloxy-2-pyridyl)phenyl] ester Formula: C32H49NO3 MolecularWeight: 495.73636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C32H49NO3/c1-4-6-7-8-9-10-11-12-13-16-25-35-30-23-24-31(33-26-30)28-19-21-29(22-20-28)36-32(34)18-15-14-17-27(3)5-2/h19-24,26-27H,4-18,25H2,1-3H3