5-[2-cyano-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-enyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 5-[2-cyano-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-enyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]benzoic acid CAS Name: 5-[2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[2-cyano-3-keto-3-[3-(trifluoromethyl)anilino]prop-1-enyl]benzoic acid Formula: C25H17F3N2O4 MolecularWeight: 466.40869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C25H17F3N2O4/c26-25(27,28)19-7-4-8-20(13-19)30-23(31)18(14-29)11-17-9-10-22(21(12-17)24(32)33)34-15-16-5-2-1-3-6-16/h1-13H,15H2,(H,30,31)(H,32,33)