methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-fluoranyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-fluoranyl-phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-fluoro-phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-fluorophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-fluorophenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-fluoro-phenyl]propionic acid methyl ester Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)F

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)F

InChI

InChI=1S/C20H21FN4O3/c1-28-18(26)9-3-13-2-8-17(16(21)12-13)25-11-10-24(20(25)27)15-6-4-14(5-7-15)19(22)23/h2,4-8,12H,3,9-11H2,1H3,(H3,22,23)