[4-(5-undecoxypyridin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [4-(5-undecoxypyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-undecoxy-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-undecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-undecoxypyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-undecoxy-2-pyridyl)phenyl] ester Formula: C29H43NO3 MolecularWeight: 453.65662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-10-11-12-13-22-32-27-19-20-28(30-23-27)25-15-17-26(18-16-25)33-29(31)21-14-24(3)5-2/h15-20,23-24H,4-14,21-22H2,1-3H3