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

Systemtic Name: 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethylbenzofuran-5-yl)phenyl]propanoic acid CAS Name: 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-5-benzofuranyl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]propanoic acid Traditional Name: 3-[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)CCC(=O)O)OCC4CCCCC4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30O4/c1-17-18(2)30-25-12-10-21(15-22(17)25)23-14-19(9-13-26(27)28)8-11-24(23)29-16-20-6-4-3-5-7-20/h8,10-12,14-15,20H,3-7,9,13,16H2,1-2H3,(H,27,28)