butyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: butyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: butyl 2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid butyl ester IUPAC Name: butyl 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-p-phenetyl-isoindoline-5-carboxylic acid butyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H21NO5/c1-3-5-12-27-21(25)14-6-11-17-18(13-14)20(24)22(19(17)23)15-7-9-16(10-8-15)26-4-2/h6-11,13H,3-5,12H2,1-2H3