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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H21N3O3/c1-14(2,3)10-8-11(18)16-13(15-10)17-6-4-9(5-7-17)12(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)(H,15,16,18)