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

Systemtic Name: 2-[[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoranyl-phenyl]-ethanoyl-amino]ethanoic acid Openeye Name: 2-[N-acetyl-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoro-anilino]acetic acid CAS Name: 2-[N-acetyl-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoroanilino]acetic acid IUPAC Name: 2-[N-acetyl-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-fluoroanilino]acetic acid Traditional Name: 2-[N-acetyl-4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-fluoro-anilino]acetic acid Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18FN5O3/c1-11(27)26(10-18(28)29)17-7-6-14(8-15(17)21)20-24-9-16(25-20)12-2-4-13(5-3-12)19(22)23/h2-9H,10H2,1H3,(H3,22,23)(H,24,25)(H,28,29)