2-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]propanoic acid Openeye Name: 2-[4-(cyclohexylmethoxy)-3-(2,3-dimethylbenzofuran-5-yl)phenyl]propanoic acid CAS Name: 2-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-5-benzofuranyl)phenyl]propanoic acid IUPAC Name: 2-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]propanoic acid Traditional Name: 2-[4-(cyclohexylmethoxy)-3-(2,3-dimethylbenzofuran-5-yl)phenyl]propionic acid Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(C)C(=O)O)OCC4CCCCC4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(C)C(=O)O)OCC4CCCCC4)C

InChI

InChI=1S/C26H30O4/c1-16-18(3)30-25-12-10-21(14-22(16)25)23-13-20(17(2)26(27)28)9-11-24(23)29-15-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15H2,1-3H3,(H,27,28)