2-[3-(2-fluorophenyl)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(2-fluorophenyl)propanoylamino]terephthalic acid Openeye Name: 2-[3-(2-fluorophenyl)propanoylamino]terephthalic acid CAS Name: 2-[[3-(2-fluorophenyl)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(2-fluorophenyl)propanoylamino]terephthalic acid Traditional Name: 2-[3-(2-fluorophenyl)propanoylamino]terephthalic acid Formula: C17H14FNO5 MolecularWeight: 331.295163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)F

InChI

InChI=1S/C17H14FNO5/c18-13-4-2-1-3-10(13)6-8-15(20)19-14-9-11(16(21)22)5-7-12(14)17(23)24/h1-5,7,9H,6,8H2,(H,19,20)(H,21,22)(H,23,24)