[2-(3-dodecoxypyridin-4-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-dodecoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-dodecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-lauryloxy-4-pyridyl)phenyl] ester Formula: C32H49NO3 MolecularWeight: 495.73636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C32H49NO3/c1-4-6-7-8-9-10-11-12-13-18-25-35-31-26-33-24-23-29(31)28-20-15-16-21-30(28)36-32(34)22-17-14-19-27(3)5-2/h15-16,20-21,23-24,26-27H,4-14,17-19,22,25H2,1-3H3