methyl 2-cycloheptyl-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: methyl 2-cycloheptyl-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: methyl 2-cycloheptyl-3-oxo-3-[3-(trifluoromethyl)anilino]propanoate CAS Name: 2-cycloheptyl-3-oxo-3-[3-(trifluoromethyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 2-cycloheptyl-3-oxo-3-[3-(trifluoromethyl)anilino]propanoate Traditional Name: 2-cycloheptyl-3-keto-3-[3-(trifluoromethyl)anilino]propionic acid methyl ester Formula: C18H22F3NO3 MolecularWeight: 357.36739

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C(C1CCCCCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H22F3NO3/c1-25-17(24)15(12-7-4-2-3-5-8-12)16(23)22-14-10-6-9-13(11-14)18(19,20)21/h6,9-12,15H,2-5,7-8H2,1H3,(H,22,23)