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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxy-2-fluoranyl-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3,5-diethoxy-2-fluoro-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3,5-diethoxy-2-fluorophenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3,5-diethoxy-2-fluorophenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3,5-diethoxy-2-fluoro-phenyl)acetic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCC

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCC

InChI

InChI=1S/C19H22FN3O4/c1-3-26-13-9-14(16(20)15(10-13)27-4-2)17(19(24)25)23-12-7-5-11(6-8-12)18(21)22/h5-10,17,23H,3-4H2,1-2H3,(H3,21,22)(H,24,25)