(phenylmethyl) 2-(4-acetyloxybutyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-imidazole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-acetyloxybutyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-imidazole-1-carboxylate Openeye Name: benzyl 2-(4-acetoxybutyl)-4-(4-fluorophenyl)-5-(4-pyridyl)imidazole-1-carboxylate CAS Name: 2-(4-acetyloxybutyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1-imidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-acetyloxybutyl)-4-(4-fluorophenyl)-5-pyridin-4-ylimidazole-1-carboxylate Traditional Name: 2-(4-acetoxybutyl)-4-(4-fluorophenyl)-5-(4-pyridyl)imidazole-1-carboxylic acid benzyl ester Formula: C28H26FN3O4 MolecularWeight: 487.522143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC1=NC(=C(N1C(=O)OCC2=CC=CC=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)OCCCCC1=NC(=C(N1C(=O)OCC2=CC=CC=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26FN3O4/c1-20(33)35-18-6-5-9-25-31-26(22-10-12-24(29)13-11-22)27(23-14-16-30-17-15-23)32(25)28(34)36-19-21-7-3-2-4-8-21/h2-4,7-8,10-17H,5-6,9,18-19H2,1H3