3-[4-[(5-chloranyl-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dimethyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-chloranyl-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dimethyl-phenyl]propanoic acid Openeye Name: 3-[4-[(5-chloro-2,2-dimethyl-3H-benzofuran-7-yl)methoxy]-2,3-dimethyl-phenyl]propanoic acid CAS Name: 3-[4-[(5-chloro-2,2-dimethyl-3H-benzofuran-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid IUPAC Name: 3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid Traditional Name: 3-[4-[(5-chloro-2,2-dimethyl-coumaran-7-yl)methoxy]-2,3-dimethyl-phenyl]propionic acid Formula: C22H25ClO4 MolecularWeight: 388.8845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OCC2=C3C(=CC(=C2)Cl)CC(O3)(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)OCC2=C3C(=CC(=C2)Cl)CC(O3)(C)C)CCC(=O)O

InChI

InChI=1S/C22H25ClO4/c1-13-14(2)19(7-5-15(13)6-8-20(24)25)26-12-17-10-18(23)9-16-11-22(3,4)27-21(16)17/h5,7,9-10H,6,8,11-12H2,1-4H3,(H,24,25)