[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H16FN3O5 MolecularWeight: 397.356543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FN3O5/c1-12(19(25)23-14-4-7-17-18(8-14)28-11-27-17)29-20(26)16-9-22-10-24(16)15-5-2-13(21)3-6-15/h2-10,12H,11H2,1H3,(H,23,25)/t12-/m0/s1