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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-2-oxidanylidene-3-phenyl-imidazol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-2-oxo-3-phenyl-imidazol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-2-oxo-3-phenyl-4-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-2-oxo-3-phenylimidazol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-5-methyl-3-phenyl-4-imidazolin-4-yl]phenyl]propionic acid methyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)C4=CC=C(C=C4)CCC(=O)OC

Isomeric SMILES

CC1=C(N(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)C4=CC=C(C=C4)CCC(=O)OC

InChI

InChI=1S/C27H26N4O3/c1-18-25(20-11-8-19(9-12-20)10-17-24(32)34-2)31(22-6-4-3-5-7-22)27(33)30(18)23-15-13-21(14-16-23)26(28)29/h3-9,11-16H,10,17H2,1-2H3,(H3,28,29)