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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-4-(hydroxymethyl)-5-(methylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-(hydroxymethyl)-5-(methylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-5-(methylcarbamoyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-(hydroxymethyl)-5-(methylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-(methylcarbamoyl)-4-methylol-imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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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)NC)CO

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-6-7-12-24-30-23(18-32)25(26(33)29-5)31(24)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)27(34)35-28(2,3)4/h8-11,13-16,32H,6-7,12,17-18H2,1-5H3,(H,29,33)