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

Systemtic Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoic acid Openeye Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoic acid CAS Name: 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]benzoic acid IUPAC Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoic acid Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazino]propoxy]benzoic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC=C2C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC=C2C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O3/c23-17(24)15-5-1-2-6-16(15)25-14-4-9-21-10-12-22(13-11-21)18-19-7-3-8-20-18/h1-3,5-8H,4,9-14H2,(H,23,24)