[4-(5-octylpyridin-2-yl)phenyl] 3-cyano-2-methyl-pentanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 3-cyano-2-methyl-pentanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 3-cyano-2-methyl-pentanoate CAS Name: 3-cyano-2-methylpentanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 3-cyano-2-methylpentanoate Traditional Name: 3-cyano-2-methyl-valeric acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C26H34N2O2 MolecularWeight: 406.56036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)C#N

InChI

InChI=1S/C26H34N2O2/c1-4-6-7-8-9-10-11-21-12-17-25(28-19-21)23-13-15-24(16-14-23)30-26(29)20(3)22(5-2)18-27/h12-17,19-20,22H,4-11H2,1-3H3