tert-butyl 2-[4-[[5-aminocarbonyl-2-butyl-4-(2-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[5-aminocarbonyl-2-butyl-4-(2-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-carbamoyl-4-(2-hydroxypropan-2-yl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-carbamoyl-4-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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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)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)O

InChI

InChI=1S/C29H37N3O4/c1-7-8-13-23-31-25(29(5,6)35)24(26(30)33)32(23)18-19-14-16-20(17-15-19)21-11-9-10-12-22(21)27(34)36-28(2,3)4/h9-12,14-17,35H,7-8,13,18H2,1-6H3,(H2,30,33)