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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N1CCC(=O)OC)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=C(N(C(=O)N1CCC(=O)OC)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

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