ethyl (2S,3S,4S)-1-(4-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2-(2-phenylethynyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2S,3S,4S)-1-(4-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2-(2-phenylethynyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3S,4S)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylethynyl)pyrrolidine-3-carboxylate CAS Name: (2S,3S,4S)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylethynyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4S)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylethynyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3S,4S)-4-hydroxy-5-keto-1-(4-methoxyphenyl)-2-(2-phenylethynyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=O)C1O)C2=CC=C(C=C2)OC)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N(C(=O)[C@H]1O)C2=CC=C(C=C2)OC)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-3-28-22(26)19-18(14-9-15-7-5-4-6-8-15)23(21(25)20(19)24)16-10-12-17(27-2)13-11-16/h4-8,10-13,18-20,24H,3H2,1-2H3/t18-,19+,20+/m1/s1