[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-propoxybenzoate

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-propoxybenzoate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C24H22N2O3 MolecularWeight: 386.44308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H22N2O3/c1-2-15-28-22-12-8-20(9-13-22)24(27)29-23-14-11-21(26-17-23)10-7-18-3-5-19(16-25)6-4-18/h3-6,8-9,11-14,17H,2,7,10,15H2,1H3