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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

InChI

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