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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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