[4-(5-nonylpyridin-2-yl)phenyl] heptanoate

Systemtic Name: [4-(5-nonylpyridin-2-yl)phenyl] heptanoate Openeye Name: [4-(5-nonyl-2-pyridyl)phenyl] heptanoate CAS Name: heptanoic acid [4-(5-nonyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyridin-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(5-nonyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCC

InChI

InChI=1S/C27H39NO2/c1-3-5-7-9-10-11-12-14-23-16-21-26(28-22-23)24-17-19-25(20-18-24)30-27(29)15-13-8-6-4-2/h16-22H,3-15H2,1-2H3