ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]benzoate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoate Traditional Name: 4-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzoic acid ethyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O5/c1-2-30-25(29)17-8-10-18(11-9-17)26-23-19-5-3-4-6-20(19)24(28)27(23)14-16-7-12-21-22(13-16)32-15-31-21/h3-13,23,26H,2,14-15H2,1H3