2-[6-[3-(4-cyclohexylphenoxy)propoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[3-(4-cyclohexylphenoxy)propoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[3-(4-cyclohexylphenoxy)propoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[3-(4-cyclohexylphenoxy)propoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[3-(4-cyclohexylphenoxy)propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[3-(4-cyclohexylphenoxy)propoxy]coumaran-3-yl]acetic acid Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCCCOC3=CC4=C(C=C3)C(CO4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCCCOC3=CC4=C(C=C3)C(CO4)CC(=O)O

InChI

InChI=1S/C25H30O5/c26-25(27)15-20-17-30-24-16-22(11-12-23(20)24)29-14-4-13-28-21-9-7-19(8-10-21)18-5-2-1-3-6-18/h7-12,16,18,20H,1-6,13-15,17H2,(H,26,27)