[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C22H20N2O6/c1-3-4-19(26)23-15-8-5-13(6-9-15)18(25)12-30-22(29)14-7-10-16-17(11-14)21(28)24(2)20(16)27/h5-11H,3-4,12H2,1-2H3,(H,23,26)