1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[3,5-bis(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H13F6NO3 MolecularWeight: 417.301839

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H13F6NO3/c20-18(21,22)11-7-10(8-12(9-11)19(23,24)25)16(27)26-6-2-4-13-14(17(28)29)3-1-5-15(13)26/h1,3,5,7-9H,2,4,6H2,(H,28,29)