2-butyl-3-(4-prop-2-enylphenyl)carbonyl-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-butyl-3-(4-prop-2-enylphenyl)carbonyl-1-benzofuran-5-carboxylic acid Openeye Name: 3-(4-allylbenzoyl)-2-butyl-benzofuran-5-carboxylic acid CAS Name: 2-butyl-3-[oxo-(4-prop-2-enylphenyl)methyl]-5-benzofurancarboxylic acid IUPAC Name: 2-butyl-3-(4-prop-2-enylbenzoyl)-1-benzofuran-5-carboxylic acid Traditional Name: 3-(4-allylbenzoyl)-2-butyl-benzofuran-5-carboxylic acid Formula: C23H22O4 MolecularWeight: 362.41838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)O)C(=O)C3=CC=C(C=C3)CC=C

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)O)C(=O)C3=CC=C(C=C3)CC=C

InChI

InChI=1S/C23H22O4/c1-3-5-7-20-21(18-14-17(23(25)26)12-13-19(18)27-20)22(24)16-10-8-15(6-4-2)9-11-16/h4,8-14H,2-3,5-7H2,1H3,(H,25,26)