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

Systemtic Name: (4-chlorophenyl)methanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid Openeye Name: (4-chlorophenyl)methanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid CAS Name: (4-chlorophenyl)methanamine; 2-(2,4-dichlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: (4-chlorophenyl)methanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid Traditional Name: (4-chlorobenzyl)amine; 2-(2,4-dichlorophenyl)cinchoninic acid Formula: C23H17Cl3N2O2 MolecularWeight: 459.75228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9Cl2NO2.C7H8ClN/c17-9-5-6-11(13(18)7-9)15-8-12(16(20)21)10-3-1-2-4-14(10)19-15;8-7-3-1-6(5-9)2-4-7/h1-8H,(H,20,21);1-4H,5,9H2