2-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(5,6-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]amino]terephthalic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H17NO6/c1-10-5-15-13(9-27-17(15)6-11(10)2)8-18(22)21-16-7-12(19(23)24)3-4-14(16)20(25)26/h3-7,9H,8H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)