3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-hydroxy-4-keto-2-pyrrolin-3-yl]phenyl]propionic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=C(C=C2)C(=N)N)O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=C(C=C2)C(=N)N)O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H19N3O4/c21-19(22)14-6-8-15(9-7-14)23-11-16(24)18(20(23)27)13-4-1-12(2-5-13)3-10-17(25)26/h1-2,4-9,27H,3,10-11H2,(H3,21,22)(H,25,26)