tert-butyl 2-[4-[[5-aminocarbonyl-2-butyl-4-(2,4-dimethyl-3-oxidanyl-pentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[5-aminocarbonyl-2-butyl-4-(2,4-dimethyl-3-oxidanyl-pentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxy-1-isopropyl-2-methyl-propyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-carbamoyl-4-(3-hydroxy-2,4-dimethylpentan-3-yl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-carbamoyl-4-(3-hydroxy-2,4-dimethylpentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxy-1-isopropyl-2-methyl-propyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)N)C(C(C)C)(C(C)C)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)N)C(C(C)C)(C(C)C)O

InChI

InChI=1S/C33H45N3O4/c1-9-10-15-27-35-29(33(39,21(2)3)22(4)5)28(30(34)37)36(27)20-23-16-18-24(19-17-23)25-13-11-12-14-26(25)31(38)40-32(6,7)8/h11-14,16-19,21-22,39H,9-10,15,20H2,1-8H3,(H2,34,37)