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

Systemtic Name: 2-[4-[[[5-(4-butylphenyl)-1-methyl-pyrazol-3-yl]carbonylamino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[5-(4-butylphenyl)-1-methyl-pyrazole-3-carbonyl]amino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[5-(4-butylphenyl)-1-methyl-3-pyrazolyl]-oxomethyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[5-(4-butylphenyl)-1-methylpyrazole-3-carbonyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[[5-(4-butylphenyl)-1-methyl-pyrazole-3-carbonyl]amino]methyl]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)NCC3=CC(=C(C=C3)OC(C)(C)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)NCC3=CC(=C(C=C3)OC(C)(C)C(=O)O)C

InChI

InChI=1S/C27H33N3O4/c1-6-7-8-19-9-12-21(13-10-19)23-16-22(29-30(23)5)25(31)28-17-20-11-14-24(18(2)15-20)34-27(3,4)26(32)33/h9-16H,6-8,17H2,1-5H3,(H,28,31)(H,32,33)