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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(C1CC[C@H](N1C(=O)C2=CC=CC=C2)COC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H27NO7/c1-4-27-20(25)18(21(26)28-5-2)17-12-11-16(13-29-14(3)23)22(17)19(24)15-9-7-6-8-10-15/h6-10,16-18H,4-5,11-13H2,1-3H3/t16-,17?/m0/s1