2-methyl-2-[4-[[5-(4-methylphenyl)-2-propyl-pyrazol-3-yl]methoxycarbonyl]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[[5-(4-methylphenyl)-2-propyl-pyrazol-3-yl]methoxycarbonyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[[2-propyl-5-(p-tolyl)pyrazol-3-yl]methoxycarbonyl]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[[5-(4-methylphenyl)-2-propyl-3-pyrazolyl]methoxy-oxomethyl]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[[5-(4-methylphenyl)-2-propylpyrazol-3-yl]methoxycarbonyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[[2-propyl-5-(p-tolyl)pyrazol-3-yl]methoxycarbonyl]phenyl]thio]propionic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=CC=C(C=C2)C)COC(=O)C3=CC=C(C=C3)SC(C)(C)C(=O)O

Isomeric SMILES

CCCN1C(=CC(=N1)C2=CC=C(C=C2)C)COC(=O)C3=CC=C(C=C3)SC(C)(C)C(=O)O

InChI

InChI=1S/C25H28N2O4S/c1-5-14-27-20(15-22(26-27)18-8-6-17(2)7-9-18)16-31-23(28)19-10-12-21(13-11-19)32-25(3,4)24(29)30/h6-13,15H,5,14,16H2,1-4H3,(H,29,30)