2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[(3-ethoxy-4-isobutoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[[3-ethoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-ethoxy-4-(2-methylpropoxy)benzoyl]amino]terephthalic acid Traditional Name: 2-[(3-ethoxy-4-isobutoxy-benzoyl)amino]terephthalic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OCC(C)C

InChI

InChI=1S/C21H23NO7/c1-4-28-18-10-13(6-8-17(18)29-11-12(2)3)19(23)22-16-9-14(20(24)25)5-7-15(16)21(26)27/h5-10,12H,4,11H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)