ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazol-1-yl]propanoate

Systemtic Name: ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazol-1-yl]propanoate Openeye Name: ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-imidazol-1-yl]propanoate CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1-imidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazol-1-yl]propanoate Traditional Name: 3-[3-[4-(4-amidinophenyl)phenyl]-2-keto-4-imidazolin-1-yl]propionic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=CN(C1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1C=CN(C1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O3/c1-2-28-19(26)11-12-24-13-14-25(21(24)27)18-9-7-16(8-10-18)15-3-5-17(6-4-15)20(22)23/h3-10,13-14H,2,11-12H2,1H3,(H3,22,23)