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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-2H-pyrrol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-3-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c21-20(22)15-6-8-17(9-7-15)23-12-16(11-18(23)24)14-4-1-13(2-5-14)3-10-19(25)26/h1-2,4-9,11H,3,10,12H2,(H3,21,22)(H,25,26)