3-(3-chlorophenyl)-2-[(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]-3-oxidanyl-propanoic acid

Systemtic Name: 3-(3-chlorophenyl)-2-[(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]-3-oxidanyl-propanoic acid Openeye Name: 3-(3-chlorophenyl)-2-[(3,3-dimethyl-2H-benzofuran-5-yl)methyl]-3-hydroxy-propanoic acid CAS Name: 3-(3-chlorophenyl)-2-[(3,3-dimethyl-2H-benzofuran-5-yl)methyl]-3-hydroxypropanoic acid IUPAC Name: 3-(3-chlorophenyl)-2-[(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]-3-hydroxypropanoic acid Traditional Name: 3-(3-chlorophenyl)-2-[(3,3-dimethylcoumaran-5-yl)methyl]-3-hydroxy-propionic acid Formula: C20H21ClO4 MolecularWeight: 360.83134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)CC(C(C3=CC(=CC=C3)Cl)O)C(=O)O)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)CC(C(C3=CC(=CC=C3)Cl)O)C(=O)O)C

InChI

InChI=1S/C20H21ClO4/c1-20(2)11-25-17-7-6-12(9-16(17)20)8-15(19(23)24)18(22)13-4-3-5-14(21)10-13/h3-7,9-10,15,18,22H,8,11H2,1-2H3,(H,23,24)