methyl 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[2-[amino(butylimino)methyl]phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[2-(N'-butylamidino)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=CC=C1C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)N

Isomeric SMILES

CCCCN=C(C1=CC=CC=C1C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)N

InChI

InChI=1S/C24H29N5O3/c1-4-5-13-26-22(25)17-8-6-7-9-18(17)23-28-19-15-16(10-11-20(19)29(23)2)24(31)27-14-12-21(30)32-3/h6-11,15H,4-5,12-14H2,1-3H3,(H2,25,26)(H,27,31)