ethyl 5-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]pentanoate

Systemtic Name: ethyl 5-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]pentanoate Openeye Name: ethyl 5-[2-[(4-cyanophenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]pentanoate CAS Name: 5-[2-[(4-cyanophenyl)methyl]-5-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-cyanophenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]pentanoate Traditional Name: 5-[2-(4-cyanobenzyl)-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]valeric acid ethyl ester Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CCCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H34N4O3/c1-2-36-28(34)10-6-7-17-33-26-16-15-24(31-29(35)23-8-4-3-5-9-23)19-25(26)32-27(33)18-21-11-13-22(20-30)14-12-21/h11-16,19,23H,2-10,17-18H2,1H3,(H,31,35)