diethyl 2-[[3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methyl]propanedioate

Systemtic Name: diethyl 2-[[3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methyl]propanedioate Openeye Name: diethyl 2-[[3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidin-5-yl]methyl]propanedioate CAS Name: 2-[[3-(4-fluorophenyl)-3-(1-imidazolylmethyl)-2-methyl-5-isoxazolidinyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methyl]propanedioate Traditional Name: 2-[[3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidin-5-yl]methyl]malonic acid diethyl ester Formula: C22H28FN3O5 MolecularWeight: 433.473223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CC(N(O1)C)(CN2C=CN=C2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1CC(N(O1)C)(CN2C=CN=C2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C22H28FN3O5/c1-4-29-20(27)19(21(28)30-5-2)12-18-13-22(25(3)31-18,14-26-11-10-24-15-26)16-6-8-17(23)9-7-16/h6-11,15,18-19H,4-5,12-14H2,1-3H3