(3-cyanophenyl)methyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (3-cyanophenyl)methyl 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyric acid (3-cyanobenzyl) ester Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H18N2O4/c1-14-7-8-17-18(10-14)21(26)23(20(17)25)9-3-6-19(24)27-13-16-5-2-4-15(11-16)12-22/h2,4-5,7-8,10-11H,3,6,9,13H2,1H3