2-[4-[bis(2-chloroethyl)amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]cinchoninic acid Formula: C20H18Cl2N2O2 MolecularWeight: 389.27512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C20H18Cl2N2O2/c21-9-11-24(12-10-22)15-7-5-14(6-8-15)19-13-17(20(25)26)16-3-1-2-4-18(16)23-19/h1-8,13H,9-12H2,(H,25,26)