4-[2-cyano-3-fluoranyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

Systemtic Name: 4-[2-cyano-3-fluoranyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 4-[2-cyano-3-fluoro-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 4-[2-cyano-3-fluoro-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 4-[2-cyano-3-fluoro-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 4-[2-cyano-3-fluoro-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C23H20FNO4S MolecularWeight: 425.472603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C(=CC(=C2)OCC3=CSC=C3)F)C#N

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C(=CC(=C2)OCC3=CSC=C3)F)C#N

InChI

InChI=1S/C23H20FNO4S/c1-15-4-2-3-5-18(15)21(6-7-23(26)27)29-22-11-17(10-20(24)19(22)12-25)28-13-16-8-9-30-14-16/h2-5,8-11,14,21H,6-7,13H2,1H3,(H,26,27)