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

Systemtic Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-dodecoxy-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-dodecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-lauryloxy-2-pyridyl)phenyl] ester Formula: C30H45NO3 MolecularWeight: 467.6832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C30H45NO3/c1-4-6-7-8-9-10-11-12-13-14-23-33-28-20-21-29(31-24-28)26-16-18-27(19-17-26)34-30(32)22-15-25(3)5-2/h16-21,24-25H,4-15,22-23H2,1-3H3