1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-4-[2-(2,4,6-trimethylphenyl)ethanoylamino]piperidine-4-carboxylic acid

Systemtic Name: 1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-4-[2-(2,4,6-trimethylphenyl)ethanoylamino]piperidine-4-carboxylic acid Openeye Name: 1-(2-hydroxy-1-methyl-2-oxo-ethyl)-4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid CAS Name: 1-(1-hydroxy-1-oxopropan-2-yl)-4-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-hydroxy-1-oxopropan-2-yl)-4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylic acid Traditional Name: 1-(2-hydroxy-2-keto-1-methyl-ethyl)-4-[(2-mesitylacetyl)amino]isonipecotic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)NC2(CCN(CC2)C(C)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)NC2(CCN(CC2)C(C)C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H28N2O5/c1-12-9-13(2)16(14(3)10-12)11-17(23)21-20(19(26)27)5-7-22(8-6-20)15(4)18(24)25/h9-10,15H,5-8,11H2,1-4H3,(H,21,23)(H,24,25)(H,26,27)