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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxo-imidazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxo-1-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxoimidazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-5-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:

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

Isomeric SMILES

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

InChI

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