12-[4-(5-pentyl-2-pyridin-2-yl-phenyl)phenyl]dodecanoate

Systemtic Name: 12-[4-(5-pentyl-2-pyridin-2-yl-phenyl)phenyl]dodecanoate Openeye Name: 12-[4-[5-pentyl-2-(2-pyridyl)phenyl]phenyl]dodecanoate CAS Name: 12-[4-[5-pentyl-2-(2-pyridinyl)phenyl]phenyl]dodecanoate IUPAC Name: 12-[4-(5-pentyl-2-pyridin-2-ylphenyl)phenyl]dodecanoate Traditional Name: 12-[4-[5-amyl-2-(2-pyridyl)phenyl]phenyl]laurate Formula: C34H44NO2- MolecularWeight: 498.71866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H45NO2/c1-2-3-11-17-29-22-25-31(33-18-14-15-26-35-33)32(27-29)30-23-20-28(21-24-30)16-12-9-7-5-4-6-8-10-13-19-34(36)37/h14-15,18,20-27H,2-13,16-17,19H2,1H3,(H,36,37)/p-1