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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO5/c1-3-7-14-10-15(22)21-17(18(14)25)12(2)19(27-21)20(26-11-16(23)24)13-8-5-4-6-9-13/h4-6,8-10,20,25H,3,7,11H2,1-2H3,(H,23,24)