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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC(C(=O)O)N2CCN(CC2)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CC(C(=O)O)N2CCN(CC2)C

InChI

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