methyl 4-[4-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-3-cyclopentyl-3-oxidanyl-4-oxidanylidene-but-1-ynyl]benzoate

Systemtic Name: methyl 4-[4-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-3-cyclopentyl-3-oxidanyl-4-oxidanylidene-but-1-ynyl]benzoate Openeye Name: methyl 4-[4-[4-cyano-3-(trifluoromethyl)anilino]-3-cyclopentyl-3-hydroxy-4-oxo-but-1-ynyl]benzoate CAS Name: 4-[4-[4-cyano-3-(trifluoromethyl)anilino]-3-cyclopentyl-3-hydroxy-4-oxobut-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-cyano-3-(trifluoromethyl)anilino]-3-cyclopentyl-3-hydroxy-4-oxobut-1-ynyl]benzoate Traditional Name: 4-[4-[4-cyano-3-(trifluoromethyl)anilino]-3-cyclopentyl-3-hydroxy-4-keto-but-1-ynyl]benzoic acid methyl ester Formula: C25H21F3N2O4 MolecularWeight: 470.44045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC(C2CCCC2)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC(C2CCCC2)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

InChI

InChI=1S/C25H21F3N2O4/c1-34-22(31)17-8-6-16(7-9-17)12-13-24(33,19-4-2-3-5-19)23(32)30-20-11-10-18(15-29)21(14-20)25(26,27)28/h6-11,14,19,33H,2-5H2,1H3,(H,30,32)