2-[4-(4-ethoxycarbonyl-3-oxidanylidene-cyclohexen-1-yl)-5-ethyl-2,3-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(4-ethoxycarbonyl-3-oxidanylidene-cyclohexen-1-yl)-5-ethyl-2,3-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-(4-ethoxycarbonyl-3-oxo-cyclohexen-1-yl)-5-ethyl-2,3-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-(4-ethoxycarbonyl-3-oxo-1-cyclohexenyl)-5-ethyl-2,3-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-(4-ethoxycarbonyl-3-oxocyclohexen-1-yl)-5-ethyl-2,3-dimethylphenoxy]acetic acid Traditional Name: 2-[4-(4-carbethoxy-3-keto-cyclohexen-1-yl)-5-ethyl-2,3-dimethyl-phenoxy]acetic acid Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1C2=CC(=O)C(CC2)C(=O)OCC)C)C)OCC(=O)O

Isomeric SMILES

CCC1=CC(=C(C(=C1C2=CC(=O)C(CC2)C(=O)OCC)C)C)OCC(=O)O

InChI

InChI=1S/C21H26O6/c1-5-14-10-18(27-11-19(23)24)12(3)13(4)20(14)15-7-8-16(17(22)9-15)21(25)26-6-2/h9-10,16H,5-8,11H2,1-4H3,(H,23,24)