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

Systemtic Name: tert-butyl 2-[4-[[5-aminocarbonyl-4-(1-oxidanylbutyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[5-carbamoyl-4-(1-hydroxybutyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-carbamoyl-4-(1-hydroxybutyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[5-carbamoyl-4-(1-hydroxybutyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-carbamoyl-4-(1-hydroxybutyl)-2-propyl-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:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)N)C(CCC)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)N)C(CCC)O

InChI

InChI=1S/C29H37N3O4/c1-6-10-23(33)25-26(27(30)34)32(24(31-25)11-7-2)18-19-14-16-20(17-15-19)21-12-8-9-13-22(21)28(35)36-29(3,4)5/h8-9,12-17,23,33H,6-7,10-11,18H2,1-5H3,(H2,30,34)