3-[4-[1-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoyl-2-fluoro-phenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoyl-2-fluorophenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoyl-2-fluorophenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidino-2-fluoro-phenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=C(C=C(C=C2)C(=N)N)F)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=C(C=C(C=C2)C(=N)N)F)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H20FN3O4/c1-29-17-11-25(16-8-7-14(20(23)24)10-15(16)22)21(28)19(17)13-5-2-12(3-6-13)4-9-18(26)27/h2-3,5-8,10H,4,9,11H2,1H3,(H3,23,24)(H,26,27)