4-[2-(4-methoxy-4-oxidanylidene-butanoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

Systemtic Name: 4-[2-(4-methoxy-4-oxidanylidene-butanoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 4-[2-(4-methoxy-4-oxo-butanoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 4-[2-(4-methoxy-1,4-dioxobutyl)-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 4-[2-(4-methoxy-4-oxobutanoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 4-[2-(4-keto-4-methoxy-butanoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C27H28O7S MolecularWeight: 496.57202

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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)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)CCC(=O)OC

InChI

InChI=1S/C27H28O7S/c1-18-5-3-4-6-21(18)24(10-11-26(29)30)34-25-15-20(33-16-19-13-14-35-17-19)7-8-22(25)23(28)9-12-27(31)32-2/h3-8,13-15,17,24H,9-12,16H2,1-2H3,(H,29,30)