(1-cyanoindolizin-2-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C21H18N2O3/c1-15-5-7-16(8-6-15)20(24)9-10-21(25)26-14-17-13-23-11-3-2-4-19(23)18(17)12-22/h2-8,11,13H,9-10,14H2,1H3