butyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: butyl 4-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-(3-phthalimidopropanoylamino)benzoic acid butyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-2-3-14-29-22(28)15-8-10-16(11-9-15)23-19(25)12-13-24-20(26)17-6-4-5-7-18(17)21(24)27/h4-11H,2-3,12-14H2,1H3,(H,23,25)