1-[6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-methylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(p-toluidino)pyrimidin-4-yl]isonipecotic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H20N4O2/c1-12-2-4-14(5-3-12)20-15-10-16(19-11-18-15)21-8-6-13(7-9-21)17(22)23/h2-5,10-11,13H,6-9H2,1H3,(H,22,23)(H,18,19,20)