tert-butyl 2-[4-[[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-(3-cyclohexylpropylamino)-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C38H49N3O2 MolecularWeight: 579.81456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NCCCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NCCCC5CCCCC5

InChI

InChI=1S/C38H49N3O2/c1-5-6-18-36-40-34-24-23-31(39-25-12-15-28-13-8-7-9-14-28)26-35(34)41(36)27-29-19-21-30(22-20-29)32-16-10-11-17-33(32)37(42)43-38(2,3)4/h10-11,16-17,19-24,26,28,39H,5-9,12-15,18,25,27H2,1-4H3