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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-[(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-[(1,1-dimethyl-2-oxo-2-phenyl-ethyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[(2-methyl-1-oxo-1-phenylpropan-2-yl)amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-[(2-methyl-1-oxo-1-phenylpropan-2-yl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-[(2-keto-1,1-dimethyl-2-phenyl-ethyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C39H43N3O3 MolecularWeight: 601.77702

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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)NC(C)(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C39H43N3O3/c1-7-8-18-35-40-33-24-23-30(41-39(5,6)36(43)29-14-10-9-11-15-29)25-34(33)42(35)26-27-19-21-28(22-20-27)31-16-12-13-17-32(31)37(44)45-38(2,3)4/h9-17,19-25,41H,7-8,18,26H2,1-6H3