2-[2-(carboxymethyloxy)-4-[2-[methyl-[(E)-3-piperidin-4-ylprop-2-enoyl]amino]ethanoyl]phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[2-(carboxymethyloxy)-4-[2-[methyl-[(E)-3-piperidin-4-ylprop-2-enoyl]amino]ethanoyl]phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[2-(carboxymethyloxy)-4-[2-[methyl-[(E)-3-(4-piperidyl)prop-2-enoyl]amino]acetyl]phenoxy]acetic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[2-(carboxymethyloxy)-4-[2-[methyl-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]amino]-1-oxoethyl]phenoxy]acetic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[2-(carboxymethyloxy)-4-[2-[methyl-[(E)-3-piperidin-4-ylprop-2-enoyl]amino]acetyl]phenoxy]acetic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[2-(carboxymethyloxy)-4-[2-[methyl-[(E)-3-(4-piperidyl)acryloyl]amino]acetyl]phenoxy]acetic acid; 2,2,2-trifluoroacetic acid Formula: C23H27F3N2O10 MolecularWeight: 547.463823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C1=CC(=C(C=C1)OCC(=O)O)OCC(=O)O)C(=O)C=CC2CCNCC2.C(=O)(C(F)(F)F)O

Isomeric SMILES

[11CH3]N(CC(=O)C1=CC(=C(C=C1)OCC(=O)O)OCC(=O)O)C(=O)/C=C/C2CCNCC2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H26N2O8.C2HF3O2/c1-23(19(25)5-2-14-6-8-22-9-7-14)11-16(24)15-3-4-17(30-12-20(26)27)18(10-15)31-13-21(28)29;3-2(4,5)1(6)7/h2-5,10,14,22H,6-9,11-13H2,1H3,(H,26,27)(H,28,29);(H,6,7)/b5-2+;/i1-1;