8-[4-(5-pentyl-2-pyridin-2-yl-phenyl)phenyl]octanoate

Systemtic Name: 8-[4-(5-pentyl-2-pyridin-2-yl-phenyl)phenyl]octanoate Openeye Name: 8-[4-[5-pentyl-2-(2-pyridyl)phenyl]phenyl]octanoate CAS Name: 8-[4-[5-pentyl-2-(2-pyridinyl)phenyl]phenyl]octanoate IUPAC Name: 8-[4-(5-pentyl-2-pyridin-2-ylphenyl)phenyl]octanoate Traditional Name: 8-[4-[5-amyl-2-(2-pyridyl)phenyl]phenyl]caprylate Formula: C30H36NO2- MolecularWeight: 442.61234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=CC=CC=N2)C3=CC=C(C=C3)CCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=CC=CC=N2)C3=CC=C(C=C3)CCCCCCCC(=O)[O-]

InChI

InChI=1S/C30H37NO2/c1-2-3-7-13-25-18-21-27(29-14-10-11-22-31-29)28(23-25)26-19-16-24(17-20-26)12-8-5-4-6-9-15-30(32)33/h10-11,14,16-23H,2-9,12-13,15H2,1H3,(H,32,33)/p-1