2-[(2-piperidin-1-ylpyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-[(2-piperidin-1-ylpyrimidin-4-yl)amino]benzoate Openeye Name: 2-[[2-(1-piperidyl)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-(1-piperidinyl)-4-pyrimidinyl]amino]benzoate IUPAC Name: 2-[(2-piperidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(2-piperidinopyrimidin-4-yl)amino]benzoate Formula: C16H17N4O2- MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C16H18N4O2/c21-15(22)12-6-2-3-7-13(12)18-14-8-9-17-16(19-14)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,21,22)(H,17,18,19)/p-1