2-[4-[(7-chloranyl-3-methyl-4-oxidanyl-5-propyl-1-benzofuran-2-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(7-chloranyl-3-methyl-4-oxidanyl-5-propyl-1-benzofuran-2-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(7-chloro-4-hydroxy-3-methyl-5-propyl-benzofuran-2-yl)methyl]phenoxy]acetic acid CAS Name: 2-[4-[(7-chloro-4-hydroxy-3-methyl-5-propyl-2-benzofuranyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(7-chloro-4-hydroxy-3-methyl-5-propyl-1-benzofuran-2-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[4-[(7-chloro-4-hydroxy-3-methyl-5-propyl-benzofuran-2-yl)methyl]phenoxy]acetic acid Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1O)C(=C(O2)CC3=CC=C(C=C3)OCC(=O)O)C)Cl

Isomeric SMILES

CCCC1=CC(=C2C(=C1O)C(=C(O2)CC3=CC=C(C=C3)OCC(=O)O)C)Cl

InChI

InChI=1S/C21H21ClO5/c1-3-4-14-10-16(22)21-19(20(14)25)12(2)17(27-21)9-13-5-7-15(8-6-13)26-11-18(23)24/h5-8,10,25H,3-4,9,11H2,1-2H3,(H,23,24)