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

Systemtic Name: (4-chlorophenyl)methanamine; 2-(4-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: (4-chlorophenyl)methanamine; 2-(4-chlorophenyl)quinoline-4-carboxylic acid CAS Name: (4-chlorophenyl)methanamine; 2-(4-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: (4-chlorophenyl)methanamine; 2-(4-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: (4-chlorobenzyl)amine; 2-(4-chlorophenyl)cinchoninic acid Formula: C23H18Cl2N2O2 MolecularWeight: 425.30722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO2.C7H8ClN/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;8-7-3-1-6(5-9)2-4-7/h1-9H,(H,19,20);1-4H,5,9H2