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

Systemtic Name: 2-[[4-(acetamidomethyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(acetamidomethyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-(acetamidomethyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(acetamidomethyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(acetamidomethyl)benzoyl]amino]terephthalic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O6/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-15-8-13(17(23)24)6-7-14(15)18(25)26/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)