2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]terephthalic acid Formula: C19H15NO6 MolecularWeight: 353.3255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15NO6/c1-10-2-4-13-12(9-26-16(13)6-10)8-17(21)20-15-7-11(18(22)23)3-5-14(15)19(24)25/h2-7,9H,8H2,1H3,(H,20,21)(H,22,23)(H,24,25)