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

Systemtic Name: tert-butyl 5-[[4-(hydroxymethyl)-5-methyl-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[4-(hydroxymethyl)-5-methyl-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[4-(hydroxymethyl)-5-methyl-2-propyl-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[4-(hydroxymethyl)-5-methyl-2-propylimidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[(5-methyl-4-methylol-2-propyl-imidazol-1-yl)methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-6-10-24-27-23(17-29)18(2)28(24)16-19-13-14-21(20-11-8-7-9-12-20)22(15-19)25(30)31-26(3,4)5/h7-9,11-15,29H,6,10,16-17H2,1-5H3