tert-butyl 5-[[4-aminocarbonyl-2-butyl-5-(2,2-dimethyl-1-oxidanyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[[4-aminocarbonyl-2-butyl-5-(2,2-dimethyl-1-oxidanyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(1-hydroxy-2,2-dimethyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-carbamoyl-5-(1-hydroxy-2,2-dimethylpropyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(1-hydroxy-2,2-dimethylpropyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-carbamoyl-5-(1-hydroxy-2,2-dimethyl-propyl)imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(C(C)(C)C)O)C(=O)N

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(C(C)(C)C)O)C(=O)N

InChI

InChI=1S/C31H41N3O4/c1-8-9-15-24-33-25(28(32)36)26(27(35)30(2,3)4)34(24)19-20-16-17-22(21-13-11-10-12-14-21)23(18-20)29(37)38-31(5,6)7/h10-14,16-18,27,35H,8-9,15,19H2,1-7H3,(H2,32,36)