[4-(5-octylpyridin-2-yl)phenyl] 2-methylheptanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 2-methylheptanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CCCCC

InChI

InChI=1S/C27H39NO2/c1-4-6-8-9-10-12-14-23-15-20-26(28-21-23)24-16-18-25(19-17-24)30-27(29)22(3)13-11-7-5-2/h15-22H,4-14H2,1-3H3