4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoic acid CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 4-[[4-(2-pyrimidyl)piperazino]methyl]benzoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-15(22)14-4-2-13(3-5-14)12-19-8-10-20(11-9-19)16-17-6-1-7-18-16/h1-7H,8-12H2,(H,21,22)