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

Systemtic Name: [4-(5-undecoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-undecoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-undecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-undecoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-undecoxy-2-pyridyl)phenyl] ester Formula: C31H47NO3 MolecularWeight: 481.70978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H47NO3/c1-4-6-7-8-9-10-11-12-15-24-34-29-22-23-30(32-25-29)27-18-20-28(21-19-27)35-31(33)17-14-13-16-26(3)5-2/h18-23,25-26H,4-17,24H2,1-3H3