2-[4-bromanyl-2-[1-(4-bromanyl-2-ethyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-bromanyl-2-[1-(4-bromanyl-2-ethyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]propanoic acid Openeye Name: 2-[4-bromo-2-[1-(4-bromo-2-ethyl-phenyl)pyrazole-4-carbonyl]phenoxy]propanoic acid CAS Name: 2-[4-bromo-2-[[1-(4-bromo-2-ethylphenyl)-4-pyrazolyl]-oxomethyl]phenoxy]propanoic acid IUPAC Name: 2-[4-bromo-2-[1-(4-bromo-2-ethylphenyl)pyrazole-4-carbonyl]phenoxy]propanoic acid Traditional Name: 2-[4-bromo-2-[1-(4-bromo-2-ethyl-phenyl)pyrazole-4-carbonyl]phenoxy]propionic acid Formula: C21H18Br2N2O4 MolecularWeight: 522.18662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OC(C)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OC(C)C(=O)O

InChI

InChI=1S/C21H18Br2N2O4/c1-3-13-8-15(22)4-6-18(13)25-11-14(10-24-25)20(26)17-9-16(23)5-7-19(17)29-12(2)21(27)28/h4-12H,3H2,1-2H3,(H,27,28)