2-[[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-methoxy-4-(2-morpholino-2-oxo-ethoxy)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(2-keto-2-morpholino-ethoxy)-3-methoxy-benzoyl]amino]terephthalic acid Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OCC(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OCC(=O)N3CCOCC3

InChI

InChI=1S/C22H22N2O9/c1-31-18-11-13(3-5-17(18)33-12-19(25)24-6-8-32-9-7-24)20(26)23-16-10-14(21(27)28)2-4-15(16)22(29)30/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)(H,27,28)(H,29,30)