2-[4-(2-carboxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(2-carboxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(2-carboxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-(2-carboxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(2-carboxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2-carboxyphenyl)piperazino]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(=O)O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(=O)O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H18N2O4/c21-17(22)13-5-1-3-7-15(13)19-9-11-20(12-10-19)16-8-4-2-6-14(16)18(23)24/h1-8H,9-12H2,(H,21,22)(H,23,24)