ethanedioic acid; propan-2-yl (3S)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl (3S)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate Openeye Name: isopropyl (3S)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate; oxalic acid CAS Name: (3S)-2-(2-chlorophenyl)-3-pyrrolidinecarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl (3S)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate Traditional Name: (3S)-2-(2-chlorophenyl)pyrrolidine-3-carboxylic acid isopropyl ester; oxalic acid Formula: C16H20ClNO6 MolecularWeight: 357.7861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCNC1C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC(=O)[C@H]1CCNC1C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18ClNO2.C2H2O4/c1-9(2)18-14(17)11-7-8-16-13(11)10-5-3-4-6-12(10)15;3-1(4)2(5)6/h3-6,9,11,13,16H,7-8H2,1-2H3;(H,3,4)(H,5,6)/t11-,13?;/m0./s1