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3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzoic acid

3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzoic acid

Systemtic Name:3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzoic acid
Openeye Name:3-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]benzoic acid
CAS Name:3-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]benzoic acid
IUPAC Name:3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzoic acid
Traditional Name:3-[4-[(2-pyrimidylamino)methyl]piperidino]benzoic acid
Formula: C17H20N4O2
MolecularWeight: 312.3663
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C(=O)O


Isomeric SMILES

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C(=O)O


InChI

InChI=1S/C17H20N4O2/c22-16(23)14-3-1-4-15(11-14)21-9-5-13(6-10-21)12-20-17-18-7-2-8-19-17/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,22,23)(H,18,19,20)


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