tert-butyl 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[4,5-bis(hydroxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(4,5-dimethylol-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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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)CO)CO

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4/c1-5-8-24-27-22(16-29)23(17-30)28(24)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)25(31)32-26(2,3)4/h6-7,9-14,29-30H,5,8,15-17H2,1-4H3