3-methyl-5-(3-methylbutoxy)-1-phenyl-pyrazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OCCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OCCC(C)C)C2=CC=CC=C2

InChI

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