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4-(3-methyl-4-pyrimidin-2-yl-piperazin-2-yl)benzoic acid

4-(3-methyl-4-pyrimidin-2-yl-piperazin-2-yl)benzoic acid

Systemtic Name:4-(3-methyl-4-pyrimidin-2-yl-piperazin-2-yl)benzoic acid
Openeye Name:4-(3-methyl-4-pyrimidin-2-yl-piperazin-2-yl)benzoic acid
CAS Name:4-[3-methyl-4-(2-pyrimidinyl)-2-piperazinyl]benzoic acid
IUPAC Name:4-(3-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzoic acid
Traditional Name:4-[3-methyl-4-(2-pyrimidyl)piperazin-2-yl]benzoic acid
Formula: C16H18N4O2
MolecularWeight: 298.33972
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NCCN1C2=NC=CC=N2)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CC1C(NCCN1C2=NC=CC=N2)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C16H18N4O2/c1-11-14(12-3-5-13(6-4-12)15(21)22)17-9-10-20(11)16-18-7-2-8-19-16/h2-8,11,14,17H,9-10H2,1H3,(H,21,22)


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