methyl 2-[4-[[6-butyl-3-(cyanomethyl)-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[6-butyl-3-(cyanomethyl)-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-butyl-3-(cyanomethyl)-2-oxo-1-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-butyl-3-(cyanomethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-butyl-3-(cyanomethyl)-2-oxopyridin-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-butyl-3-(cyanomethyl)-2-keto-1-pyridyl]methyl]phenyl]benzoic acid methyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CC#N

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CC#N

InChI

InChI=1S/C26H26N2O3/c1-3-4-7-22-15-14-21(16-17-27)25(29)28(22)18-19-10-12-20(13-11-19)23-8-5-6-9-24(23)26(30)31-2/h5-6,8-15H,3-4,7,16,18H2,1-2H3