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

Systemtic Name: ethyl 4-[[2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoate CAS Name: 4-[[[2-(3-methoxypropyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate Traditional Name: 4-[[1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carbonyl]amino]benzoic acid ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

InChI

InChI=1S/C22H22N2O6/c1-3-30-22(28)14-5-8-16(9-6-14)23-19(25)15-7-10-17-18(13-15)21(27)24(20(17)26)11-4-12-29-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25)