ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]butanoate

Systemtic Name: ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-cyanophenyl)methyl]-5-[(cyclohexylmethylamino)-oxomethyl]-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-cyanobenzyl)-5-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]butyric acid ethyl ester Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(C=C(C=C2)C(=O)NCC3CCCCC3)N=C1CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CCCN1C2=C(C=C(C=C2)C(=O)NCC3CCCCC3)N=C1CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H34N4O3/c1-2-36-28(34)9-6-16-33-26-15-14-24(29(35)31-20-23-7-4-3-5-8-23)18-25(26)32-27(33)17-21-10-12-22(19-30)13-11-21/h10-15,18,23H,2-9,16-17,20H2,1H3,(H,31,35)