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

Systemtic Name: 4-[2-(2,4-dimethylphenyl)ethanoylamino]-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidine-4-carboxylic acid Openeye Name: 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-(2-hydroxy-1-methyl-2-oxo-ethyl)piperidine-4-carboxylic acid CAS Name: 4-[[2-(2,4-dimethylphenyl)-1-oxoethyl]amino]-1-(1-hydroxy-1-oxopropan-2-yl)-4-piperidinecarboxylic acid IUPAC Name: 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-(1-hydroxy-1-oxopropan-2-yl)piperidine-4-carboxylic acid Traditional Name: 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-(2-hydroxy-2-keto-1-methyl-ethyl)isonipecotic acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-12-4-5-15(13(2)10-12)11-16(22)20-19(18(25)26)6-8-21(9-7-19)14(3)17(23)24/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,22)(H,23,24)(H,25,26)