2-[4-bromanyl-2-[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(2,4-dimethylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(2,4-dimethylphenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(2,4-dimethylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(2,4-dimethylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O)C

InChI

InChI=1S/C20H17BrN2O4/c1-12-3-5-17(13(2)7-12)23-10-14(9-22-23)20(26)16-8-15(21)4-6-18(16)27-11-19(24)25/h3-10H,11H2,1-2H3,(H,24,25)