4-(4-carboxyphenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-carboxyphenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-carboxyphenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-carboxyphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-carboxyphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-carboxyphenyl)piperazine-1-carboxylic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14N2O4/c15-11(16)9-1-3-10(4-2-9)13-5-7-14(8-6-13)12(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18)