[4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-propylbenzoate

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-propylbenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C28H33NO2 MolecularWeight: 415.56712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H33NO2/c1-3-5-6-8-24-12-18-26(29-21-24)17-11-23-13-19-27(20-14-23)31-28(30)25-15-9-22(7-4-2)10-16-25/h9-10,12-16,18-21H,3-8,11,17H2,1-2H3