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

Systemtic Name: [2-(3-decoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-decoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-decoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-decoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-decoxy-4-pyridyl)phenyl] ester Formula: C30H45NO3 MolecularWeight: 467.6832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H45NO3/c1-4-6-7-8-9-10-11-16-23-33-29-24-31-22-21-27(29)26-18-13-14-19-28(26)34-30(32)20-15-12-17-25(3)5-2/h13-14,18-19,21-22,24-25H,4-12,15-17,20,23H2,1-3H3