ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]butanoate

Systemtic Name: ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-carbamimidoylphenyl)methyl]-5-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-amidinobenzyl)-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butyric acid ethyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H35N5O3/c1-2-36-26(34)9-6-16-33-24-15-14-22(31-28(35)21-7-4-3-5-8-21)18-23(24)32-25(33)17-19-10-12-20(13-11-19)27(29)30/h10-15,18,21H,2-9,16-17H2,1H3,(H3,29,30)(H,31,35)