5-[(2,5-dimethoxy-3,4,6-trimethyl-phenyl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(2,5-dimethoxy-3,4,6-trimethyl-phenyl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(2,5-dimethoxy-3,4,6-trimethyl-phenyl)methyl]benzofuran-2-carboxylic acid CAS Name: 5-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-benzyl)coumarilic acid Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C)CC2=CC3=C(C=C2)OC(=C3)C(=O)O)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C)CC2=CC3=C(C=C2)OC(=C3)C(=O)O)OC)C

InChI

InChI=1S/C21H22O5/c1-11-12(2)20(25-5)16(13(3)19(11)24-4)9-14-6-7-17-15(8-14)10-18(26-17)21(22)23/h6-8,10H,9H2,1-5H3,(H,22,23)