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

Systemtic Name: 4-chloranyl-1-[(3-methyl-4-propan-2-yl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(4-isopropyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(4-isopropyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=C(C(=N2)C(=O)O)Cl)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=C(C(=N2)C(=O)O)Cl)C(C)C

InChI

InChI=1S/C15H17ClN2O3/c1-9(2)12-5-4-11(6-10(12)3)21-8-18-7-13(16)14(17-18)15(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)