N,N-diethylethanamine; 2-(4-fluorophenyl)-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 2-(4-fluorophenyl)-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 2-(4-fluorophenyl)-3-hydroxy-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 2-(4-fluorophenyl)-3-hydroxy-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 2-(4-fluorophenyl)-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(4-fluorophenyl)-3-hydroxy-7,8-dimethyl-cinchoninic acid; triethylamine Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H14FNO3.C6H15N/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11;1-4-7(5-2)6-3/h3-8,21H,1-2H3,(H,22,23);4-6H2,1-3H3