[2-(3-dodecoxypyridin-4-yl)phenyl] 3-methylpentanoate

Systemtic Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(3-dodecoxy-4-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-(3-dodecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(3-lauryloxy-4-pyridyl)phenyl] ester Formula: C29H43NO3 MolecularWeight: 453.65662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-10-11-12-13-16-21-32-28-23-30-20-19-26(28)25-17-14-15-18-27(25)33-29(31)22-24(3)5-2/h14-15,17-20,23-24H,4-13,16,21-22H2,1-3H3