[4-(5-octylpyridin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C26H37NO3 MolecularWeight: 411.57688

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)COCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

InChI

InChI=1S/C26H37NO3/c1-4-6-7-8-9-10-11-22-12-17-25(27-19-22)23-13-15-24(16-14-23)30-26(28)21(3)20-29-18-5-2/h12-17,19,21H,4-11,18,20H2,1-3H3