2-[(3,4,5-triethoxyphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3,4,5-triethoxyphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(3,4,5-triethoxybenzoyl)amino]terephthalic acid CAS Name: 2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(3,4,5-triethoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(3,4,5-triethoxybenzoyl)amino]terephthalic acid Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO8/c1-4-28-16-10-13(11-17(29-5-2)18(16)30-6-3)19(23)22-15-9-12(20(24)25)7-8-14(15)21(26)27/h7-11H,4-6H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)