trimethyl (2S,3R,4S,5R)-5-(4-cyanophenyl)pyrrolidine-2,3,4-tricarboxylate

Systemtic Name: trimethyl (2S,3R,4S,5R)-5-(4-cyanophenyl)pyrrolidine-2,3,4-tricarboxylate Openeye Name: trimethyl (2S,3R,4S,5R)-5-(4-cyanophenyl)pyrrolidine-2,3,4-tricarboxylate CAS Name: (2S,3R,4S,5R)-5-(4-cyanophenyl)pyrrolidine-2,3,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (2S,3R,4S,5R)-5-(4-cyanophenyl)pyrrolidine-2,3,4-tricarboxylate Traditional Name: (2S,3R,4S,5R)-5-(4-cyanophenyl)pyrrolidine-2,3,4-tricarboxylic acid trimethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(NC1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1[C@H]([C@H](N[C@H]1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18N2O6/c1-23-15(20)11-12(16(21)24-2)14(17(22)25-3)19-13(11)10-6-4-9(8-18)5-7-10/h4-7,11-14,19H,1-3H3/t11-,12+,13-,14-/m0/s1