methyl 3-[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(p-tolylmethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-methylbenzyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCC(=O)OC)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCC(=O)OC)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O3/c1-17-3-5-18(6-4-17)16-32-23-12-11-21(27(34)30-14-13-24(33)35-2)15-22(23)31-26(32)20-9-7-19(8-10-20)25(28)29/h3-12,15H,13-14,16H2,1-2H3,(H3,28,29)(H,30,34)