2-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

Systemtic Name: 2-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 2-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 2-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 2-[2-(5-carbethoxy-1H-pyrazol-3-yl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CSC=C3)OC(CCC4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CSC=C3)OC(CCC4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C28H28N2O6S/c1-3-34-28(33)24-15-23(29-30-24)22-10-9-21(35-16-19-12-13-37-17-19)14-26(22)36-25(27(31)32)11-8-20-7-5-4-6-18(20)2/h4-7,9-10,12-15,17,25H,3,8,11,16H2,1-2H3,(H,29,30)(H,31,32)