[2-butyl-6-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]pyridin-4-yl]methyl ethanoate

Systemtic Name: [2-butyl-6-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]pyridin-4-yl]methyl ethanoate Openeye Name: [2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-pyridyl]methyl acetate CAS Name: acetic acid [2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-pyridinyl]methyl ester IUPAC Name: [2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]pyridin-4-yl]methyl acetate Traditional Name: acetic acid [2-butyl-6-chloro-3-[4-(2-cyanophenyl)benzyl]-4-pyridyl]methyl ester Formula: C26H25ClN2O2 MolecularWeight: 432.9419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=N1)Cl)COC(=O)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=CC(=N1)Cl)COC(=O)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H25ClN2O2/c1-3-4-9-25-24(22(15-26(27)29-25)17-31-18(2)30)14-19-10-12-20(13-11-19)23-8-6-5-7-21(23)16-28/h5-8,10-13,15H,3-4,9,14,17H2,1-2H3