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

Systemtic Name: 2-[7-(4-hexylphenyl)carbonyl-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-hexylbenzoyl)-6-methoxy-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-hexylphenyl)-oxomethyl]-6-methoxy-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[7-(4-hexylbenzoyl)-6-methoxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-hexylbenzoyl)-6-methoxy-coumaran-5-yl]propionic acid Formula: C25H30O5 MolecularWeight: 410.5027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2OC)C(C)C(=O)O)CCO3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2OC)C(C)C(=O)O)CCO3

InChI

InChI=1S/C25H30O5/c1-4-5-6-7-8-17-9-11-18(12-10-17)22(26)21-23-19(13-14-30-23)15-20(24(21)29-3)16(2)25(27)28/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,27,28)