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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxidanylidene-1H-imidazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxo-1H-imidazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxo-1H-imidazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxo-1H-imidazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-5-methyl-4-imidazolin-4-yl]phenyl]propionic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(NC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

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