4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid hydrate

Systemtic Name: 4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid hydrate Openeye Name: 4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid hydrate CAS Name: 4-[4-[[[dimethylamino(oxo)methyl]-methylamino]-oxomethyl]-1-piperazinyl]benzoic acid hydrate IUPAC Name: 4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid hydrate Traditional Name: 4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazino]benzoic acid hydrate Formula: C16H24N4O5 MolecularWeight: 352.38556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O.O

Isomeric SMILES

CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O.O

InChI

InChI=1S/C16H22N4O4.H2O/c1-17(2)15(23)18(3)16(24)20-10-8-19(9-11-20)13-6-4-12(5-7-13)14(21)22;/h4-7H,8-11H2,1-3H3,(H,21,22);1H2