4-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]benzoic acid Openeye Name: 4-[(1-pyrimidin-2-yl-4-piperidyl)amino]benzoic acid CAS Name: 4-[[1-(2-pyrimidinyl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]benzoic acid Traditional Name: 4-[[1-(2-pyrimidyl)-4-piperidyl]amino]benzoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC=C(C=C2)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1NC2=CC=C(C=C2)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-15(22)12-2-4-13(5-3-12)19-14-6-10-20(11-7-14)16-17-8-1-9-18-16/h1-5,8-9,14,19H,6-7,10-11H2,(H,21,22)