1-methoxycarbonyl-4-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-2-carboxylic acid

Systemtic Name: 1-methoxycarbonyl-4-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-2-carboxylic acid Openeye Name: 1-methoxycarbonyl-4-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-2-carboxylic acid CAS Name: 1-methoxycarbonyl-4-[1-oxo-2-[3-(trifluoromethyl)phenyl]prop-2-enyl]-2-piperazinecarboxylic acid IUPAC Name: 1-methoxycarbonyl-4-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-2-carboxylic acid Traditional Name: 1-carbomethoxy-4-[2-[3-(trifluoromethyl)phenyl]acryloyl]piperazine-2-carboxylic acid Formula: C17H17F3N2O5 MolecularWeight: 386.32249

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1C(=O)O)C(=O)C(=C)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)N1CCN(CC1C(=O)O)C(=O)C(=C)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O5/c1-10(11-4-3-5-12(8-11)17(18,19)20)14(23)21-6-7-22(16(26)27-2)13(9-21)15(24)25/h3-5,8,13H,1,6-7,9H2,2H3,(H,24,25)