1-[2-oxidanyl-3-[piperidin-4-yl(pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-3-[piperidin-4-yl(pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-3-[4-piperidyl(pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-3-[4-piperidinyl(4-pyrimidinyl)amino]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-3-[piperidin-4-yl(pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-3-[4-piperidyl(4-pyrimidyl)amino]propyl]isonipecotic acid Formula: C18H29N5O3 MolecularWeight: 363.45456

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC(CN2CCC(CC2)C(=O)O)O)C3=NC=NC=C3

Isomeric SMILES

C1CNCCC1N(CC(CN2CCC(CC2)C(=O)O)O)C3=NC=NC=C3

InChI

InChI=1S/C18H29N5O3/c24-16(11-22-9-4-14(5-10-22)18(25)26)12-23(15-1-6-19-7-2-15)17-3-8-20-13-21-17/h3,8,13-16,19,24H,1-2,4-7,9-12H2,(H,25,26)