3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl benzoate

Systemtic Name: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl benzoate Openeye Name: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl benzoate CAS Name: benzoic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolinyl]prop-2-ynyl ester IUPAC Name: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl benzoate Traditional Name: benzoic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl ester Formula: C21H14F3NO3 MolecularWeight: 385.33597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H14F3NO3/c1-27-18-13-19(21(22,23)24)25-17-10-9-14(12-16(17)18)6-5-11-28-20(26)15-7-3-2-4-8-15/h2-4,7-10,12-13H,11H2,1H3