[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CN=CN2C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CN=CN2C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O3/c1-13-5-3-4-6-17(13)23-19(25)14(2)27-20(26)18-11-22-12-24(18)16-9-7-15(21)8-10-16/h3-12,14H,1-2H3,(H,23,25)/t14-/m0/s1