3-[(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid Openeye Name: 3-[(4-iodo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid CAS Name: 3-[(4-iodo-3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxybenzoic acid IUPAC Name: 3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzoic acid Traditional Name: 3-[(4-iodo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid Formula: C14H15IN2O3 MolecularWeight: 386.18497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C(=O)O)OC)C)I

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C(=O)O)OC)C)I

InChI

InChI=1S/C14H15IN2O3/c1-8-13(15)9(2)17(16-8)7-11-6-10(14(18)19)4-5-12(11)20-3/h4-6H,7H2,1-3H3,(H,18,19)