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

Systemtic Name: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl 2-chloranylbenzoate Openeye Name: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl ester Formula: C21H13ClF3NO3 MolecularWeight: 419.78103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)C3=CC=CC=C3Cl)C(F)(F)F

Isomeric SMILES

COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)C3=CC=CC=C3Cl)C(F)(F)F

InChI

InChI=1S/C21H13ClF3NO3/c1-28-18-12-19(21(23,24)25)26-17-9-8-13(11-15(17)18)5-4-10-29-20(27)14-6-2-3-7-16(14)22/h2-3,6-9,11-12H,10H2,1H3