propan-2-yl 2-butyl-3-(4-prop-2-enylphenyl)carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 2-butyl-3-(4-prop-2-enylphenyl)carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 3-(4-allylbenzoyl)-2-butyl-benzofuran-5-carboxylate CAS Name: 2-butyl-3-[oxo-(4-prop-2-enylphenyl)methyl]-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-(4-prop-2-enylbenzoyl)-1-benzofuran-5-carboxylate Traditional Name: 3-(4-allylbenzoyl)-2-butyl-benzofuran-5-carboxylic acid isopropyl ester Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O4/c1-5-7-9-23-24(25(27)19-12-10-18(8-6-2)11-13-19)21-16-20(14-15-22(21)30-23)26(28)29-17(3)4/h6,10-17H,2,5,7-9H2,1,3-4H3