2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(trifluoromethyloxy)phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(trifluoromethyloxy)phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(trifluoromethoxy)phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-(trifluoromethoxy)phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(trifluoromethoxy)phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-(trifluoromethoxy)phenyl]benzoic acid Formula: C22H16F3N3O4 MolecularWeight: 443.37535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C(C=C2)OC(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C(C=C2)OC(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H16F3N3O4/c23-22(24,25)32-14-9-10-16(15-3-1-2-4-17(15)21(30)31)18(11-14)20(29)28-13-7-5-12(6-8-13)19(26)27/h1-11H,(H3,26,27)(H,28,29)(H,30,31)