1-[4-[(2-phenoxypyrimidin-5-yl)carbonylamino]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(2-phenoxypyrimidin-5-yl)carbonylamino]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[(2-phenoxypyrimidine-5-carbonyl)amino]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[[oxo-(2-phenoxy-5-pyrimidinyl)methyl]amino]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-phenoxypyrimidine-5-carbonyl)amino]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(2-phenoxypyrimidine-5-carbonyl)amino]phenyl]isonipecotic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c28-21(17-14-24-23(25-15-17)31-20-4-2-1-3-5-20)26-18-6-8-19(9-7-18)27-12-10-16(11-13-27)22(29)30/h1-9,14-16H,10-13H2,(H,26,28)(H,29,30)