2-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(2,3-dimethyl-2,3-dihydrobenzofuran-7-carbonyl)amino]terephthalic acid CAS Name: 2-[[(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]terephthalic acid Traditional Name: 2-[(2,3-dimethylcoumaran-7-carbonyl)amino]terephthalic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C19H17NO6/c1-9-10(2)26-16-12(9)4-3-5-14(16)17(21)20-15-8-11(18(22)23)6-7-13(15)19(24)25/h3-10H,1-2H3,(H,20,21)(H,22,23)(H,24,25)