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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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