2-methyl-2-[4-[[1-(4-methylphenyl)-3-phenyl-pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[[1-(4-methylphenyl)-3-phenyl-pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[[3-phenyl-1-(p-tolyl)pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[[1-(4-methylphenyl)-3-phenyl-4-pyrazolyl]methoxy-oxomethyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[[3-phenyl-1-(p-tolyl)pyrazol-4-yl]methoxycarbonyl]phenoxy]propionic acid Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)OC(C)(C)C(=O)O

InChI

InChI=1S/C28H26N2O5/c1-19-9-13-23(14-10-19)30-17-22(25(29-30)20-7-5-4-6-8-20)18-34-26(31)21-11-15-24(16-12-21)35-28(2,3)27(32)33/h4-17H,18H2,1-3H3,(H,32,33)