4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-propoxyphenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-propoxyphenyl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(4-propoxyphenyl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(4-propoxyphenyl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(4-propoxyphenyl)butanamide Traditional Name: 4-phthalimido-N-(4-propoxyphenyl)butyramide Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O4/c1-2-14-27-16-11-9-15(10-12-16)22-19(24)8-5-13-23-20(25)17-6-3-4-7-18(17)21(23)26/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,24)