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

Systemtic Name: tert-butyl 2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(1-azepanyl)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C35H43N3O2 MolecularWeight: 537.73482

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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)N5CCCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)N5CCCCCC5

InChI

InChI=1S/C35H43N3O2/c1-5-6-15-33-36-31-21-20-28(37-22-11-7-8-12-23-37)24-32(31)38(33)25-26-16-18-27(19-17-26)29-13-9-10-14-30(29)34(39)40-35(2,3)4/h9-10,13-14,16-21,24H,5-8,11-12,15,22-23,25H2,1-4H3