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

Systemtic Name: 4-[2-(5-methoxycarbonyl-1H-pyrazol-3-yl)-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 4-[2-(5-methoxycarbonyl-1H-pyrazol-3-yl)-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 4-[2-(5-methoxycarbonyl-1H-pyrazol-3-yl)-5-(3-pyridinylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 4-[2-(5-methoxycarbonyl-1H-pyrazol-3-yl)-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 4-[2-(5-carbomethoxy-1H-pyrazol-3-yl)-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OC

InChI

InChI=1S/C28H27N3O6/c1-18-6-3-4-8-21(18)25(11-12-27(32)33)37-26-14-20(36-17-19-7-5-13-29-16-19)9-10-22(26)23-15-24(31-30-23)28(34)35-2/h3-10,13-16,25H,11-12,17H2,1-2H3,(H,30,31)(H,32,33)