3-[(4-pyrimidin-2-ylpiperazin-1-yl)methoxy]benzoic acid

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methoxy]benzoic acid Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methoxy]benzoic acid CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]methoxy]benzoic acid IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methoxy]benzoic acid Traditional Name: 3-[[4-(2-pyrimidyl)piperazino]methoxy]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1COC2=CC=CC(=C2)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1COC2=CC=CC(=C2)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O3/c21-15(22)13-3-1-4-14(11-13)23-12-19-7-9-20(10-8-19)16-17-5-2-6-18-16/h1-6,11H,7-10,12H2,(H,21,22)