methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-acetamido-1-[4-(trifluoromethyl)benzyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H19F3N2O3 MolecularWeight: 344.32887

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(N(C1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(=O)N[C@H]1C[C@H](N(C1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H19F3N2O3/c1-10(22)20-13-7-14(15(23)24-2)21(9-13)8-11-3-5-12(6-4-11)16(17,18)19/h3-6,13-14H,7-9H2,1-2H3,(H,20,22)/t13-,14-/m0/s1