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

Systemtic Name: ethyl 2-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]methyl]butanoate Openeye Name: ethyl 2-[[4-(1,3-dioxoisoindolin-2-yl)phenyl]methyl]butanoate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)phenyl]methyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]butanoate Traditional Name: 2-(4-phthalimidobenzyl)butyric acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC

Isomeric SMILES

CCC(CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC

InChI

InChI=1S/C21H21NO4/c1-3-15(21(25)26-4-2)13-14-9-11-16(12-10-14)22-19(23)17-7-5-6-8-18(17)20(22)24/h5-12,15H,3-4,13H2,1-2H3