4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C19H14ClF3N2O3 MolecularWeight: 410.77427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C19H14ClF3N2O3/c1-28-16-5-2-10(6-14(16)20)8-25-17-12-7-11(19(21,22)23)3-4-15(12)24-9-13(17)18(26)27/h2-7,9H,8H2,1H3,(H,24,25)(H,26,27)