2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]quinoline-4-carboxylic acid Openeye Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]quinoline-4-carboxylic acid CAS Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]quinoline-4-carboxylic acid Traditional Name: 2-[3-[(3,4-dichlorobenzyl)amino]propylamino]cinchoninic acid Formula: C20H19Cl2N3O2 MolecularWeight: 404.28976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCCCNCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCCCNCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H19Cl2N3O2/c21-16-7-6-13(10-17(16)22)12-23-8-3-9-24-19-11-15(20(26)27)14-4-1-2-5-18(14)25-19/h1-2,4-7,10-11,23H,3,8-9,12H2,(H,24,25)(H,26,27)