(Z)-2-ethoxycarbonyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]amino]hex-2-enoic acid

Systemtic Name: (Z)-2-ethoxycarbonyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]amino]hex-2-enoic acid Openeye Name: (Z)-2-ethoxycarbonyl-5-methyl-3-[2-(trifluoromethyl)anilino]hex-2-enoic acid CAS Name: (Z)-2-ethoxycarbonyl-5-methyl-3-[2-(trifluoromethyl)anilino]-2-hexenoic acid IUPAC Name: (Z)-2-ethoxycarbonyl-5-methyl-3-[2-(trifluoromethyl)anilino]hex-2-enoic acid Traditional Name: (Z)-2-carbethoxy-5-methyl-3-[2-(trifluoromethyl)anilino]hex-2-enoic acid Formula: C17H20F3NO4 MolecularWeight: 359.34021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(CC(C)C)NC1=CC=CC=C1C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(/CC(C)C)\NC1=CC=CC=C1C(F)(F)F)/C(=O)O

InChI

InChI=1S/C17H20F3NO4/c1-4-25-16(24)14(15(22)23)13(9-10(2)3)21-12-8-6-5-7-11(12)17(18,19)20/h5-8,10,21H,4,9H2,1-3H3,(H,22,23)/b14-13-