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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(3,3-dimethyl-1-piperidyl)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-(3,3-dimethyl-1-piperidinyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-(3,3-dimethylpiperidino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H45N3O2 MolecularWeight: 551.7614

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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)N5CCCC(C5)(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)N5CCCC(C5)(C)C

InChI

InChI=1S/C36H45N3O2/c1-7-8-14-33-37-31-20-19-28(38-22-11-21-36(5,6)25-38)23-32(31)39(33)24-26-15-17-27(18-16-26)29-12-9-10-13-30(29)34(40)41-35(2,3)4/h9-10,12-13,15-20,23H,7-8,11,14,21-22,24-25H2,1-6H3