4-[(2,5-dimethoxyphenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,5-dimethoxyphenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,5-dimethoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(2,5-dimethoxyanilino)-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 4-(2,5-dimethoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 4-(2,5-dimethoxyanilino)-4-keto-2-(4-methylpiperazino)butyric acid Formula: C17H25N3O5 MolecularWeight: 351.3975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(CC(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)O

InChI

InChI=1S/C17H25N3O5/c1-19-6-8-20(9-7-19)14(17(22)23)11-16(21)18-13-10-12(24-2)4-5-15(13)25-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,21)(H,22,23)