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

Systemtic Name: 2-[4-bromanyl-2-[1-(4-bromanyl-2-ethyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(4-bromo-2-ethyl-phenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(4-bromo-2-ethylphenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(4-bromo-2-ethylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(4-bromo-2-ethyl-phenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C20H16Br2N2O4 MolecularWeight: 508.16004

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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)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H16Br2N2O4/c1-2-12-7-14(21)3-5-17(12)24-10-13(9-23-24)20(27)16-8-15(22)4-6-18(16)28-11-19(25)26/h3-10H,2,11H2,1H3,(H,25,26)