ethanedioic acid; ethyl 3-azanyl-3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-(3,5-dimethoxyphenyl)propanoate Openeye Name: ethyl 3-amino-3-(3,5-dimethoxyphenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(3,5-dimethoxyphenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(3,5-dimethoxyphenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(3,5-dimethoxyphenyl)propionic acid ethyl ester; oxalic acid Formula: C15H21NO8 MolecularWeight: 343.32914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1)OC)OC)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC(=C1)OC)OC)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO4.C2H2O4/c1-4-18-13(15)8-12(14)9-5-10(16-2)7-11(6-9)17-3;3-1(4)2(5)6/h5-7,12H,4,8,14H2,1-3H3;(H,3,4)(H,5,6)