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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(2,2-dimethylpropanoylamino)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(2,2-dimethylpropanoylamino)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(2,2-dimethylpropanoylamino)-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-methyl-6-(pivaloylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C35H43N3O3 MolecularWeight: 553.73422

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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=C2C)NC(=O)C(C)(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2C)NC(=O)C(C)(C)C

InChI

InChI=1S/C35H43N3O3/c1-9-10-15-30-37-31-23(2)20-26(36-33(40)34(3,4)5)21-29(31)38(30)22-24-16-18-25(19-17-24)27-13-11-12-14-28(27)32(39)41-35(6,7)8/h11-14,16-21H,9-10,15,22H2,1-8H3,(H,36,40)