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

Systemtic Name: 4-[2-(2-cyanoethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 4-[2-(2-cyanoethylcarbamoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 4-[2-[(2-cyanoethylamino)-oxomethyl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 4-[2-(2-cyanoethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 4-[2-(2-cyanoethylcarbamoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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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)C(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-18-5-2-3-6-21(18)23(9-10-25(29)30)33-24-15-20(32-16-19-11-14-34-17-19)7-8-22(24)26(31)28-13-4-12-27/h2-3,5-8,11,14-15,17,23H,4,9-10,13,16H2,1H3,(H,28,31)(H,29,30)