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

Systemtic Name: 1-[[4-butyl-2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-butyl-2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-butyl-2-oxo-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-butyl-2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-butyl-2-keto-3-[1-(4-pyridyl)-4-piperidyl]oxazolidin-5-yl]methyl]isonipecotic acid Formula: C24H36N4O4 MolecularWeight: 444.56704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(OC(=O)N1C2CCN(CC2)C3=CC=NC=C3)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCC1C(OC(=O)N1C2CCN(CC2)C3=CC=NC=C3)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H36N4O4/c1-2-3-4-21-22(17-26-13-7-18(8-14-26)23(29)30)32-24(31)28(21)20-9-15-27(16-10-20)19-5-11-25-12-6-19/h5-6,11-12,18,20-22H,2-4,7-10,13-17H2,1H3,(H,29,30)