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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoyl-2-fluoro-phenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoyl-2-fluorophenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoyl-2-fluorophenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidino-2-fluoro-phenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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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)OC

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)OC

InChI

InChI=1S/C22H22FN3O4/c1-29-18-12-26(17-9-8-15(21(24)25)11-16(17)23)22(28)20(18)14-6-3-13(4-7-14)5-10-19(27)30-2/h3-4,6-9,11H,5,10,12H2,1-2H3,(H3,24,25)