2-[(4-carbamimidoylphenyl)amino]-2-(2-fluoranyl-3,5-dimethoxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(2-fluoranyl-3,5-dimethoxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(2-fluoro-3,5-dimethoxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(2-fluoro-3,5-dimethoxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(2-fluoro-3,5-dimethoxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(2-fluoro-3,5-dimethoxy-phenyl)acetic acid Formula: C17H18FN3O4 MolecularWeight: 347.340923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OC

InChI

InChI=1S/C17H18FN3O4/c1-24-11-7-12(14(18)13(8-11)25-2)15(17(22)23)21-10-5-3-9(4-6-10)16(19)20/h3-8,15,21H,1-2H3,(H3,19,20)(H,22,23)