4-[(2,6-dimethylphenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,6-dimethylphenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,6-dimethylanilino)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(2,6-dimethylanilino)-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 4-(2,6-dimethylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 4-(2,6-dimethylanilino)-4-keto-2-(4-methylpiperazino)butyric acid Formula: C17H25N3O3 MolecularWeight: 319.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)O)N2CCN(CC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)O)N2CCN(CC2)C

InChI

InChI=1S/C17H25N3O3/c1-12-5-4-6-13(2)16(12)18-15(21)11-14(17(22)23)20-9-7-19(3)8-10-20/h4-6,14H,7-11H2,1-3H3,(H,18,21)(H,22,23)