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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxidanylidene-imidazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-imidazol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxoimidazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)-2-keto-3-methyl-4-imidazolin-1-yl]phenyl]propionic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN(C1=O)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(=CN(C1=O)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N4O3/c1-23-17(14-5-7-15(8-6-14)19(21)22)12-24(20(23)27)16-9-2-13(3-10-16)4-11-18(25)26/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)(H,25,26)