diethyl 2-[(2S,5S)-5-ethoxycarbonyl-1-(phenylcarbonyl)pyrrolidin-2-yl]propanedioate

Systemtic Name: diethyl 2-[(2S,5S)-5-ethoxycarbonyl-1-(phenylcarbonyl)pyrrolidin-2-yl]propanedioate Openeye Name: diethyl 2-[(2S,5S)-1-benzoyl-5-ethoxycarbonyl-pyrrolidin-2-yl]propanedioate CAS Name: 2-[(2S,5S)-1-benzoyl-5-ethoxycarbonyl-2-pyrrolidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2S,5S)-1-benzoyl-5-ethoxycarbonylpyrrolidin-2-yl]propanedioate Traditional Name: 2-[(2S,5S)-1-benzoyl-5-carbethoxy-pyrrolidin-2-yl]malonic acid diethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(N1C(=O)C2=CC=CC=C2)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1CC[C@H](N1C(=O)C2=CC=CC=C2)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H27NO7/c1-4-27-19(24)16-13-12-15(17(20(25)28-5-2)21(26)29-6-3)22(16)18(23)14-10-8-7-9-11-14/h7-11,15-17H,4-6,12-13H2,1-3H3/t15-,16-/m0/s1