3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl N-(4-chlorophenyl)carbamate

Systemtic Name: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl N-(4-chlorophenyl)carbamate Openeye Name: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic 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 N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl ester Formula: C21H14ClF3N2O3 MolecularWeight: 434.79567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)NC3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)NC3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H14ClF3N2O3/c1-29-18-12-19(21(23,24)25)27-17-9-4-13(11-16(17)18)3-2-10-30-20(28)26-15-7-5-14(22)6-8-15/h4-9,11-12H,10H2,1H3,(H,26,28)