1-[[2-oxidanylidene-3-[1-(2-phenylazanylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-3-[1-(2-phenylazanylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-[1-(2-anilinopyrimidin-4-yl)-4-piperidyl]-2-oxo-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-[1-(2-anilino-4-pyrimidinyl)-4-piperidinyl]-2-oxo-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-[1-(2-anilinopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[3-[1-(2-anilinopyrimidin-4-yl)-4-piperidyl]-2-keto-oxazolidin-5-yl]methyl]isonipecotic acid Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2CN(C(=O)O2)C3CCN(CC3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2CN(C(=O)O2)C3CCN(CC3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C25H32N6O4/c32-23(33)18-7-12-29(13-8-18)16-21-17-31(25(34)35-21)20-9-14-30(15-10-20)22-6-11-26-24(28-22)27-19-4-2-1-3-5-19/h1-6,11,18,20-21H,7-10,12-17H2,(H,32,33)(H,26,27,28)