6,7-dimethyl-5-(3-methylbutanoyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-dimethyl-5-(3-methylbutanoyl)-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dimethyl-5-(3-methylbutanoyl)benzofuran-2-carboxylic acid CAS Name: 6,7-dimethyl-5-(3-methyl-1-oxobutyl)-2-benzofurancarboxylic acid IUPAC Name: 6,7-dimethyl-5-(3-methylbutanoyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-isovaleryl-6,7-dimethyl-coumarilic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(OC2=C1C)C(=O)O)C(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C2C=C(OC2=C1C)C(=O)O)C(=O)CC(C)C

InChI

InChI=1S/C16H18O4/c1-8(2)5-13(17)12-6-11-7-14(16(18)19)20-15(11)10(4)9(12)3/h6-8H,5H2,1-4H3,(H,18,19)