ethanedioic acid; ethyl 3-azanyl-3-(2-ethylphenyl)propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-(2-ethylphenyl)propanoate Openeye Name: ethyl 3-amino-3-(2-ethylphenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(2-ethylphenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(2-ethylphenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(2-ethylphenyl)propionic acid ethyl ester; oxalic acid Formula: C15H21NO6 MolecularWeight: 311.33034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CC(=O)OCC)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=CC=C1C(CC(=O)OCC)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO2.C2H2O4/c1-3-10-7-5-6-8-11(10)12(14)9-13(15)16-4-2;3-1(4)2(5)6/h5-8,12H,3-4,9,14H2,1-2H3;(H,3,4)(H,5,6)