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

Systemtic Name: 4-[(4-dimethylaminophenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(dimethylamino)anilino]-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-[4-(dimethylamino)anilino]-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 4-[4-(dimethylamino)anilino]-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 4-[4-(dimethylamino)anilino]-4-keto-2-(4-methylpiperazino)butyric acid Formula: C17H26N4O3 MolecularWeight: 334.41334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-19(2)14-6-4-13(5-7-14)18-16(22)12-15(17(23)24)21-10-8-20(3)9-11-21/h4-7,15H,8-12H2,1-3H3,(H,18,22)(H,23,24)