methyl (2S,3R)-1-[[4-cyano-2-ethyl-3-(trifluoromethyl)phenyl]carbamoyl]-3-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R)-1-[[4-cyano-2-ethyl-3-(trifluoromethyl)phenyl]carbamoyl]-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R)-1-[[4-cyano-2-ethyl-3-(trifluoromethyl)phenyl]carbamoyl]-3-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,3R)-1-[[4-cyano-2-ethyl-3-(trifluoromethyl)anilino]-oxomethyl]-3-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-1-[[4-cyano-2-ethyl-3-(trifluoromethyl)phenyl]carbamoyl]-3-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,3R)-1-[[4-cyano-2-ethyl-3-(trifluoromethyl)phenyl]carbamoyl]-3-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(F)(F)F)C#N)NC(=O)N2CCC(C2C(=O)OC)O

Isomeric SMILES

CCC1=C(C=CC(=C1C(F)(F)F)C#N)NC(=O)N2CC[C@H]([C@H]2C(=O)OC)O

InChI

InChI=1S/C17H18F3N3O4/c1-3-10-11(5-4-9(8-21)13(10)17(18,19)20)22-16(26)23-7-6-12(24)14(23)15(25)27-2/h4-5,12,14,24H,3,6-7H2,1-2H3,(H,22,26)/t12-,14+/m1/s1