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

Systemtic Name: 2-[4-[[[5-(4-tert-butylphenyl)-1-methyl-pyrazol-3-yl]carbonylamino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[5-(4-tert-butylphenyl)-1-methyl-pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[5-(4-tert-butylphenyl)-1-methyl-3-pyrazolyl]-oxomethyl]amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[5-(4-tert-butylphenyl)-1-methylpyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[[5-(4-tert-butylphenyl)-1-methyl-pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2C)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2C)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C26H31N3O4/c1-25(2,3)19-11-9-18(10-12-19)22-15-21(28-29(22)6)23(30)27-16-17-7-13-20(14-8-17)33-26(4,5)24(31)32/h7-15H,16H2,1-6H3,(H,27,30)(H,31,32)