ethyl 4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoate CAS Name: 4-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate Traditional Name: 4-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H22N2O5/c1-3-5-12-24-20(26)17-11-8-15(13-18(17)21(24)27)19(25)23-16-9-6-14(7-10-16)22(28)29-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,23,25)