ethanedioic acid; methyl (3S)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethanedioic acid; methyl (3S)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3S)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylate; oxalic acid CAS Name: (3S)-2-(2,4-dichlorophenyl)-3-pyrrolidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl (3S)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylate; oxalic acid Traditional Name: (3S)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylic acid methyl ester; oxalic acid Formula: C14H15Cl2NO6 MolecularWeight: 364.178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCNC1C2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)[C@H]1CCNC1C2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H13Cl2NO2.C2H2O4/c1-17-12(16)9-4-5-15-11(9)8-3-2-7(13)6-10(8)14;3-1(4)2(5)6/h2-3,6,9,11,15H,4-5H2,1H3;(H,3,4)(H,5,6)/t9-,11?;/m0./s1