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

Systemtic Name: [4-(5-butoxypyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-butoxy-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-butoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butoxypyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-butoxy-2-pyridyl)phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C22H29NO3/c1-4-6-15-25-20-12-13-21(23-16-20)18-8-10-19(11-9-18)26-22(24)14-7-17(3)5-2/h8-13,16-17H,4-7,14-15H2,1-3H3