1-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-butyl-4-keto-1H-pyrimidin-2-yl)isonipecotic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H21N3O3/c1-2-3-4-11-9-12(18)16-14(15-11)17-7-5-10(6-8-17)13(19)20/h9-10H,2-8H2,1H3,(H,19,20)(H,15,16,18)