2-(heptylcarbamoyl)-5-(methylcarbamoyl)terephthalic acid

Systemtic Name: 2-(heptylcarbamoyl)-5-(methylcarbamoyl)terephthalic acid Openeye Name: 2-(heptylcarbamoyl)-5-(methylcarbamoyl)terephthalic acid CAS Name: 2-[(heptylamino)-oxomethyl]-5-(methylcarbamoyl)terephthalic acid IUPAC Name: 2-(heptylcarbamoyl)-5-(methylcarbamoyl)terephthalic acid Traditional Name: 2-(heptylcarbamoyl)-5-(methylcarbamoyl)terephthalic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)NC)C(=O)O

Isomeric SMILES

CCCCCCCNC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)NC)C(=O)O

InChI

InChI=1S/C18H24N2O6/c1-3-4-5-6-7-8-20-16(22)12-10-13(17(23)24)11(15(21)19-2)9-14(12)18(25)26/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)