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

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-6-methyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-6-methyl-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-6-methyl-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-6-methyl-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-6-methyl-coumaran-5-yl]acetic acid Formula: C24H28O5 MolecularWeight: 396.47612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2C)CC(=O)O)CCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2C)CC(=O)O)CCO3

InChI

InChI=1S/C24H28O5/c1-3-4-5-6-12-28-20-9-7-17(8-10-20)23(27)22-16(2)19(15-21(25)26)14-18-11-13-29-24(18)22/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,25,26)