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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(NC1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN1C=C(NC1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

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