cyclohexanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid

Systemtic Name: cyclohexanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid Openeye Name: cyclohexanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid CAS Name: cyclohexanamine; 2-(2,4-dichlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: cyclohexanamine; 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid Traditional Name: cyclohexylamine; 2-(2,4-dichlorophenyl)cinchoninic acid Formula: C22H22Cl2N2O2 MolecularWeight: 417.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)N.C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H9Cl2NO2.C6H13N/c17-9-5-6-11(13(18)7-9)15-8-12(16(20)21)10-3-1-2-4-14(10)19-15;7-6-4-2-1-3-5-6/h1-8H,(H,20,21);6H,1-5,7H2