2-[4-bromanyl-2-[1-(2-ethyl-6-methyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[1-(2-ethyl-6-methyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(2-ethyl-6-methyl-phenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(2-ethyl-6-methylphenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(2-ethyl-6-methylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(2-ethyl-6-methyl-phenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O)C

InChI

InChI=1S/C21H19BrN2O4/c1-3-14-6-4-5-13(2)20(14)24-11-15(10-23-24)21(27)17-9-16(22)7-8-18(17)28-12-19(25)26/h4-11H,3,12H2,1-2H3,(H,25,26)