3-[5-(2,2-dimethylpropyl)-1-phenyl-pyrazol-4-yl]carbonyloxypropanoic acid

Systemtic Name: 3-[5-(2,2-dimethylpropyl)-1-phenyl-pyrazol-4-yl]carbonyloxypropanoic acid Openeye Name: 3-[5-(2,2-dimethylpropyl)-1-phenyl-pyrazole-4-carbonyl]oxypropanoic acid CAS Name: 3-[[5-(2,2-dimethylpropyl)-1-phenyl-4-pyrazolyl]-oxomethoxy]propanoic acid IUPAC Name: 3-[5-(2,2-dimethylpropyl)-1-phenylpyrazole-4-carbonyl]oxypropanoic acid Traditional Name: 3-(5-neopentyl-1-phenyl-pyrazole-4-carbonyl)oxypropionic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCCC(=O)O

Isomeric SMILES

CC(C)(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCCC(=O)O

InChI

InChI=1S/C18H22N2O4/c1-18(2,3)11-15-14(17(23)24-10-9-16(21)22)12-19-20(15)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,21,22)