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

Systemtic Name: [4-(5-decoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-decoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-decoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-decoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-decoxy-2-pyridyl)phenyl] ester Formula: C30H45NO3 MolecularWeight: 467.6832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H45NO3/c1-4-6-7-8-9-10-11-14-23-33-28-21-22-29(31-24-28)26-17-19-27(20-18-26)34-30(32)16-13-12-15-25(3)5-2/h17-22,24-25H,4-16,23H2,1-3H3