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

Systemtic Name: ethanedioic acid; propan-2-yl (3S)-2-phenylpyrrolidine-3-carboxylate Openeye Name: isopropyl (3S)-2-phenylpyrrolidine-3-carboxylate; oxalic acid CAS Name: oxalic acid; (3S)-2-phenyl-3-pyrrolidinecarboxylic acid propan-2-yl ester IUPAC Name: oxalic acid; propan-2-yl (3S)-2-phenylpyrrolidine-3-carboxylate Traditional Name: oxalic acid; (3S)-2-phenylpyrrolidine-3-carboxylic acid isopropyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCNC1C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC(=O)[C@H]1CCNC1C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19NO2.C2H2O4/c1-10(2)17-14(16)12-8-9-15-13(12)11-6-4-3-5-7-11;3-1(4)2(5)6/h3-7,10,12-13,15H,8-9H2,1-2H3;(H,3,4)(H,5,6)/t12-,13?;/m0./s1