ethanedioic acid; propan-2-yl (3S)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl (3S)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: isopropyl (3S)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate; oxalic acid CAS Name: (3S)-2-(3,4-dimethoxyphenyl)-3-pyrrolidinecarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl (3S)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (3S)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid isopropyl ester; oxalic acid Formula: C18H25NO8 MolecularWeight: 383.393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4.C2H2O4/c1-10(2)21-16(18)12-7-8-17-15(12)11-5-6-13(19-3)14(9-11)20-4;3-1(4)2(5)6/h5-6,9-10,12,15,17H,7-8H2,1-4H3;(H,3,4)(H,5,6)/t12-,15?;/m0./s1