5-(3-methylbutyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(3-methylbutyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-isopentylbenzofuran-2-carboxylic acid CAS Name: 5-(3-methylbutyl)-2-benzofurancarboxylic acid IUPAC Name: 5-(3-methylbutyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-isoamylcoumarilic acid Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC2=C(C=C1)OC(=C2)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC2=C(C=C1)OC(=C2)C(=O)O

InChI

InChI=1S/C14H16O3/c1-9(2)3-4-10-5-6-12-11(7-10)8-13(17-12)14(15)16/h5-9H,3-4H2,1-2H3,(H,15,16)