methyl 3-[2-oxidanyl-3-(4-phenylimidazol-1-yl)propoxy]benzoate

Systemtic Name: methyl 3-[2-oxidanyl-3-(4-phenylimidazol-1-yl)propoxy]benzoate Openeye Name: methyl 3-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]benzoate CAS Name: 3-[2-hydroxy-3-(4-phenyl-1-imidazolyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]benzoate Traditional Name: 3-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]benzoic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CN2C=C(N=C2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(CN2C=C(N=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O4/c1-25-20(24)16-8-5-9-18(10-16)26-13-17(23)11-22-12-19(21-14-22)15-6-3-2-4-7-15/h2-10,12,14,17,23H,11,13H2,1H3