[4-[1-(3,4-dimethylphenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-methyl-phenyl] butanoate

Systemtic Name: [4-[1-(3,4-dimethylphenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-methyl-phenyl] butanoate Openeye Name: [4-[1-(3,4-dimethylphenyl)-3-oxo-isobenzofuran-1-yl]-2-methyl-phenyl] butanoate CAS Name: butanoic acid [4-[1-(3,4-dimethylphenyl)-3-oxo-1-isobenzofuranyl]-2-methylphenyl] ester IUPAC Name: [4-[1-(3,4-dimethylphenyl)-3-oxo-2-benzofuran-1-yl]-2-methylphenyl] butanoate Traditional Name: butyric acid [4-[1-(3,4-dimethylphenyl)-3-keto-phthalan-1-yl]-2-methyl-phenyl] ester Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C27H26O4/c1-5-8-25(28)30-24-14-13-21(16-19(24)4)27(20-12-11-17(2)18(3)15-20)23-10-7-6-9-22(23)26(29)31-27/h6-7,9-16H,5,8H2,1-4H3