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

Systemtic Name: 2-[2-(2-carboxyethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 2-[2-(2-carboxyethylcarbamoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 2-[2-[(2-carboxyethylamino)-oxomethyl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-[2-(2-carboxyethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 2-[2-(2-carboxyethylcarbamoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C26H27NO7S MolecularWeight: 497.56008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H27NO7S/c1-17-4-2-3-5-19(17)6-9-22(26(31)32)34-23-14-20(33-15-18-11-13-35-16-18)7-8-21(23)25(30)27-12-10-24(28)29/h2-5,7-8,11,13-14,16,22H,6,9-10,12,15H2,1H3,(H,27,30)(H,28,29)(H,31,32)