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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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