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

Systemtic Name: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl 4-chloranylbenzoate Openeye Name: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl 4-chlorobenzoate CAS Name: 4-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 4-chlorobenzoate Traditional Name: 4-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=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClF3NO3/c1-28-18-12-19(21(23,24)25)26-17-9-4-13(11-16(17)18)3-2-10-29-20(27)14-5-7-15(22)8-6-14/h4-9,11-12H,10H2,1H3