4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanoylamino]piperidine-1-carboxylic acid

Systemtic Name: 4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanoylamino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetyl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetyl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetyl]amino]piperidine-1-carboxylic acid Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NC2CCN(CC2)C(=O)O)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CCN(C(C1)CC(=O)NC2CCN(CC2)C(=O)O)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C20H27N7O3/c28-18(23-15-5-10-25(11-6-15)20(29)30)13-16-3-1-2-9-27(16)17-4-7-22-19(24-17)26-12-8-21-14-26/h4,7-8,12,14-16H,1-3,5-6,9-11,13H2,(H,23,28)(H,29,30)