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

Systemtic Name: 2-[7-(4-hexylphenyl)carbonyl-6-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-hexylbenzoyl)-6-methyl-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-hexylphenyl)-oxomethyl]-6-methyl-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[7-(4-hexylbenzoyl)-6-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-hexylbenzoyl)-6-methyl-coumaran-5-yl]propionic acid Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2C)C(C)C(=O)O)CCO3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2C)C(C)C(=O)O)CCO3

InChI

InChI=1S/C25H30O4/c1-4-5-6-7-8-18-9-11-19(12-10-18)23(26)22-16(2)21(17(3)25(27)28)15-20-13-14-29-24(20)22/h9-12,15,17H,4-8,13-14H2,1-3H3,(H,27,28)