6-[(3,5-dimethyl-1,2-oxazol-4-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(3,5-dimethyl-1,2-oxazol-4-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3,5-dimethylisoxazol-4-yl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(3,5-dimethyl-4-isoxazolyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3,5-dimethylisoxazol-4-yl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(C2CC=CCC2C(=O)O)O

Isomeric SMILES

CC1=C(C(=NO1)C)C(C2CC=CCC2C(=O)O)O

InChI

InChI=1S/C13H17NO4/c1-7-11(8(2)18-14-7)12(15)9-5-3-4-6-10(9)13(16)17/h3-4,9-10,12,15H,5-6H2,1-2H3,(H,16,17)