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

Systemtic Name: 1-[[2-oxidanylidene-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-oxo-3-[[1-(4-pyridyl)-4-piperidyl]methyl]oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-oxo-3-[(1-pyridin-4-yl-4-piperidinyl)methyl]-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-oxo-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-keto-3-[[1-(4-pyridyl)-4-piperidyl]methyl]oxazolidin-5-yl]methyl]isonipecotic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC(OC2=O)CN3CCC(CC3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CN2CC(OC2=O)CN3CCC(CC3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C21H30N4O4/c26-20(27)17-5-9-23(10-6-17)14-19-15-25(21(28)29-19)13-16-3-11-24(12-4-16)18-1-7-22-8-2-18/h1-2,7-8,16-17,19H,3-6,9-15H2,(H,26,27)