3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]propionic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O3/c20-18(21)14-4-8-16(9-5-14)23-12-11-22(19(23)26)15-6-1-13(2-7-15)3-10-17(24)25/h1-2,4-9,11-12H,3,10H2,(H3,20,21)(H,24,25)