5-(3,3-dimethylbutoxy)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(3,3-dimethylbutoxy)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-(3,3-dimethylbutoxy)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(3,3-dimethylbutoxy)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(3,3-dimethylbutoxy)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-(3,3-dimethylbutoxy)-1-phenyl-pyrazole-4-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC1=C(C=NN1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)CCOC1=C(C=NN1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)9-10-21-14-13(15(19)20)11-17-18(14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,20)