4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid hydrate

Systemtic Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid hydrate Openeye Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid hydrate CAS Name: 4-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid hydrate IUPAC Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid hydrate Traditional Name: 4-(4-chlorophenyl)-4-keto-2-(4-methylpiperazino)butyric acid hydrate Formula: C15H21ClN2O4 MolecularWeight: 328.79124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O.O

Isomeric SMILES

CN1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O.O

InChI

InChI=1S/C15H19ClN2O3.H2O/c1-17-6-8-18(9-7-17)13(15(20)21)10-14(19)11-2-4-12(16)5-3-11;/h2-5,13H,6-10H2,1H3,(H,20,21);1H2