2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]terephthalic acid

Systemtic Name: 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]terephthalic acid Openeye Name: 2-[3-[5-(2-fluorophenyl)-2-furyl]propanoylamino]terephthalic acid CAS Name: 2-[[3-[5-(2-fluorophenyl)-2-furanyl]-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]terephthalic acid Traditional Name: 2-[3-[5-(2-fluorophenyl)-2-furyl]propanoylamino]terephthalic acid Formula: C21H16FNO6 MolecularWeight: 397.353243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)F

InChI

InChI=1S/C21H16FNO6/c22-16-4-2-1-3-14(16)18-9-6-13(29-18)7-10-19(24)23-17-11-12(20(25)26)5-8-15(17)21(27)28/h1-6,8-9,11H,7,10H2,(H,23,24)(H,25,26)(H,27,28)