(4-fluorophenyl)methanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: (4-fluorophenyl)methanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: (4-fluorophenyl)methanamine; 2-(5-methyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: (4-fluorophenyl)methanamine; 2-(5-methyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: (4-fluorophenyl)methanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: (4-fluorobenzyl)amine; 2-(5-methyl-2-thienyl)cinchoninic acid Formula: C22H19FN2O2S MolecularWeight: 394.461863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC(=CC=C1CN)F

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC(=CC=C1CN)F

InChI

InChI=1S/C15H11NO2S.C7H8FN/c1-9-6-7-14(19-9)13-8-11(15(17)18)10-4-2-3-5-12(10)16-13;8-7-3-1-6(5-9)2-4-7/h2-8H,1H3,(H,17,18);1-4H,5,9H2