2-[[4-(phenoxymethyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(phenoxymethyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(phenoxymethyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[oxo-[4-(phenoxymethyl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[4-(phenoxymethyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(phenoxymethyl)benzoyl]amino]terephthalic acid Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H17NO6/c24-20(23-19-12-16(21(25)26)10-11-18(19)22(27)28)15-8-6-14(7-9-15)13-29-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28)