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

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-propoxybenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C28H33NO3 MolecularWeight: 431.56652

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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO3/c1-3-5-6-7-23-9-15-25(29-21-23)14-8-22-10-16-27(17-11-22)32-28(30)24-12-18-26(19-13-24)31-20-4-2/h9-13,15-19,21H,3-8,14,20H2,1-2H3