methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxybenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-6-propoxy-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1C(=O)NCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCOC1=CC2=C(C=C1C(=O)NCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N5O4/c1-4-11-32-19-13-18-17(12-16(19)23(30)26-10-9-20(29)31-3)27-22(28(18)2)15-7-5-14(6-8-15)21(24)25/h5-8,12-13H,4,9-11H2,1-3H3,(H3,24,25)(H,26,30)