2-(3-chlorophenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine

Systemtic Name: 2-(3-chlorophenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine Openeye Name: 2-(3-chlorophenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine CAS Name: 2-(3-chlorophenyl)-4-quinolinecarboxylic acid; (4-fluorophenyl)methanamine IUPAC Name: 2-(3-chlorophenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine Traditional Name: 2-(3-chlorophenyl)cinchoninic acid; (4-fluorobenzyl)amine Formula: C23H18ClFN2O2 MolecularWeight: 408.852623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Cl)C(=O)O.C1=CC(=CC=C1CN)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Cl)C(=O)O.C1=CC(=CC=C1CN)F

InChI

InChI=1S/C16H10ClNO2.C7H8FN/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15;8-7-3-1-6(5-9)2-4-7/h1-9H,(H,19,20);1-4H,5,9H2