ethyl 4-[5-(hydroxymethyl)-2-methoxy-phenyl]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[5-(hydroxymethyl)-2-methoxy-phenyl]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[5-(hydroxymethyl)-2-methoxy-phenyl]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[5-(hydroxymethyl)-2-methoxyphenyl]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(hydroxymethyl)-2-methoxyphenyl]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(2-methoxy-5-methylol-phenyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H18F3NO4 MolecularWeight: 405.36713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1C3=C(C=CC(=C3)CO)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1C3=C(C=CC(=C3)CO)OC)C(F)(F)F

InChI

InChI=1S/C21H18F3NO4/c1-3-29-20(27)16-10-25-17-9-13(21(22,23)24)5-6-14(17)19(16)15-8-12(11-26)4-7-18(15)28-2/h4-10,26H,3,11H2,1-2H3