4-chloranyl-1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[[4-(1,1-dimethylpropyl)phenoxy]methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-tert-amylphenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C16H19ClN2O3/c1-4-16(2,3)11-5-7-12(8-6-11)22-10-19-9-13(17)14(18-19)15(20)21/h5-9H,4,10H2,1-3H3,(H,20,21)