(4-propanoylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: (4-propanoylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (4-propanoylphenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid (4-propionylphenyl) ester Formula: C23H23NO5 MolecularWeight: 393.43242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H23NO5/c1-4-20(25)15-9-11-16(12-10-15)29-23(28)19(13-14(2)3)24-21(26)17-7-5-6-8-18(17)22(24)27/h5-12,14,19H,4,13H2,1-3H3