2-[3-(2-methylpyrazol-3-yl)-5-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 2-[3-(2-methylpyrazol-3-yl)-5-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 2-[3-(2-methylpyrazol-3-yl)-5-oxo-cyclohexyl]propanoic acid CAS Name: 2-[3-(2-methyl-3-pyrazolyl)-5-oxocyclohexyl]propanoic acid IUPAC Name: 2-[3-(2-methylpyrazol-3-yl)-5-oxocyclohexyl]propanoic acid Traditional Name: 2-[3-keto-5-(2-methylpyrazol-3-yl)cyclohexyl]propionic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CC(=O)C1)C2=CC=NN2C)C(=O)O

Isomeric SMILES

CC(C1CC(CC(=O)C1)C2=CC=NN2C)C(=O)O

InChI

InChI=1S/C13H18N2O3/c1-8(13(17)18)9-5-10(7-11(16)6-9)12-3-4-14-15(12)2/h3-4,8-10H,5-7H2,1-2H3,(H,17,18)