2-[4-[(E)-3-[3-(2-azanylethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-[(E)-3-[3-(2-azanylethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid; 2,2,2-trifluoroacetic acid Formula: C23H24F3NO7 MolecularWeight: 483.43437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)CCN)OCC(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)CCN)OCC(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H23NO5.C2HF3O2/c1-2-26-20-13-16(7-9-19(20)27-14-21(24)25)6-8-18(23)17-5-3-4-15(12-17)10-11-22;3-2(4,5)1(6)7/h3-9,12-13H,2,10-11,14,22H2,1H3,(H,24,25);(H,6,7)/b8-6+;