tert-butyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]butanoate

Systemtic Name: tert-butyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]butanoate Openeye Name: tert-butyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-cyanophenyl)methyl]-5-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-cyanophenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-cyanobenzyl)-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butyric acid tert-butyl ester Formula: C30H36N4O3 MolecularWeight: 500.63184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O3/c1-30(2,3)37-28(35)10-7-17-34-26-16-15-24(32-29(36)23-8-5-4-6-9-23)19-25(26)33-27(34)18-21-11-13-22(20-31)14-12-21/h11-16,19,23H,4-10,17-18H2,1-3H3,(H,32,36)