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

Systemtic Name: 1-[[2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-oxo-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[2-keto-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]nipecotic acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2CN(C(=O)O2)C3CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2CN(C(=O)O2)C3CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H28N4O4/c25-19(26)15-2-1-9-22(12-15)13-18-14-24(20(27)28-18)17-5-10-23(11-6-17)16-3-7-21-8-4-16/h3-4,7-8,15,17-18H,1-2,5-6,9-14H2,(H,25,26)