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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoyl-3-fluoranyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoyl-3-fluoro-phenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoyl-3-fluorophenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoyl-3-fluorophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidino-3-fluoro-phenyl)-2-keto-imidazolidin-1-yl]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)9-4-13-2-5-14(6-3-13)24-10-11-25(20(24)27)15-7-8-16(19(22)23)17(21)12-15/h2-3,5-8,12H,4,9-11H2,1H3,(H3,22,23)