2-[4-[[[5-(4-bromophenyl)-1-methyl-pyrazol-3-yl]carbonylamino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[[5-(4-bromophenyl)-1-methyl-pyrazol-3-yl]carbonylamino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[5-(4-bromophenyl)-1-methyl-pyrazole-3-carbonyl]amino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[5-(4-bromophenyl)-1-methyl-3-pyrazolyl]-oxomethyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[5-(4-bromophenyl)-1-methylpyrazole-3-carbonyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[[5-(4-bromophenyl)-1-methyl-pyrazole-3-carbonyl]amino]methyl]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C23H24BrN3O4 MolecularWeight: 486.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Br)C)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Br)C)OC(C)(C)C(=O)O

InChI

InChI=1S/C23H24BrN3O4/c1-14-11-15(5-10-20(14)31-23(2,3)22(29)30)13-25-21(28)18-12-19(27(4)26-18)16-6-8-17(24)9-7-16/h5-12H,13H2,1-4H3,(H,25,28)(H,29,30)