ethyl 4-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-isobutoxycarbonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-[2-methylpropoxy(oxo)methyl]anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylpropoxycarbonyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-isobutoxycarbonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C24H23F3N2O4 MolecularWeight: 460.44563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)C(=O)OCC(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)C(=O)OCC(C)C)C(F)(F)F

InChI

InChI=1S/C24H23F3N2O4/c1-4-32-23(31)19-12-28-20-11-16(24(25,26)27)7-10-18(20)21(19)29-17-8-5-15(6-9-17)22(30)33-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,28,29)