2-[7-(4-hexoxyphenyl)carbonyl-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-6-methoxy-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-6-methoxy-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-6-methoxy-coumaran-5-yl]acetic acid Formula: C24H28O6 MolecularWeight: 412.47552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2OC)CC(=O)O)CCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2OC)CC(=O)O)CCO3

InChI

InChI=1S/C24H28O6/c1-3-4-5-6-12-29-19-9-7-16(8-10-19)22(27)21-23(28-2)18(15-20(25)26)14-17-11-13-30-24(17)21/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,25,26)