3-[7-chloranyl-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxidanyl-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxidanyl-1-benzofuran-5-yl]propanoic acid Openeye Name: 3-[7-chloro-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-benzofuran-5-yl]propanoic acid CAS Name: 3-[7-chloro-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-5-benzofuranyl]propanoic acid IUPAC Name: 3-[7-chloro-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-5-yl]propanoic acid Traditional Name: 3-(7-chloro-4-hydroxy-3-methyl-2-p-anisyl-benzofuran-5-yl)propionic acid Formula: C20H19ClO5 MolecularWeight: 374.81486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=C(C(=C12)O)CCC(=O)O)Cl)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(OC2=C(C=C(C(=C12)O)CCC(=O)O)Cl)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19ClO5/c1-11-16(9-12-3-6-14(25-2)7-4-12)26-20-15(21)10-13(5-8-17(22)23)19(24)18(11)20/h3-4,6-7,10,24H,5,8-9H2,1-2H3,(H,22,23)