3-[1-(4-iodanyl-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[1-(4-iodanyl-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propanoic acid Openeye Name: 3-[1-(4-iodo-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propanoic acid CAS Name: 3-[1-(4-iodo-2-methylphenyl)-5-phenyl-3-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(4-iodo-2-methylphenyl)-5-phenylpyrazol-3-yl]propanoic acid Traditional Name: 3-[1-(4-iodo-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propionic acid Formula: C19H17IN2O2 MolecularWeight: 432.25495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=CC(=N2)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=CC(=N2)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H17IN2O2/c1-13-11-15(20)7-9-17(13)22-18(14-5-3-2-4-6-14)12-16(21-22)8-10-19(23)24/h2-7,9,11-12H,8,10H2,1H3,(H,23,24)