ethanedioic acid; ethyl 3-azanyl-3-[3-(trifluoromethyl)phenyl]propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-[3-(trifluoromethyl)phenyl]propanoate Openeye Name: ethyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate; oxalic acid CAS Name: 3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate; oxalic acid Traditional Name: 3-amino-3-[3-(trifluoromethyl)phenyl]propionic acid ethyl ester; oxalic acid Formula: C14H16F3NO6 MolecularWeight: 351.27515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3NO2.C2H2O4/c1-2-18-11(17)7-10(16)8-4-3-5-9(6-8)12(13,14)15;3-1(4)2(5)6/h3-6,10H,2,7,16H2,1H3;(H,3,4)(H,5,6)