methyl 2-[[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoranyl-phenyl]-ethanoyl-amino]ethanoate

Systemtic Name: methyl 2-[[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoranyl-phenyl]-ethanoyl-amino]ethanoate Openeye Name: methyl 2-[N-acetyl-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoro-anilino]acetate CAS Name: 2-[N-acetyl-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoroanilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-acetyl-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoroanilino]acetate Traditional Name: 2-[N-acetyl-4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-fluoro-anilino]acetic acid methyl ester Formula: C21H20FN5O3 MolecularWeight: 409.413603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)OC)C1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)F

Isomeric SMILES

CC(=O)N(CC(=O)OC)C1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)F

InChI

InChI=1S/C21H20FN5O3/c1-12(28)27(11-19(29)30-2)18-8-7-15(9-16(18)22)21-25-10-17(26-21)13-3-5-14(6-4-13)20(23)24/h3-10H,11H2,1-2H3,(H3,23,24)(H,25,26)