2-[4-[[2-(2-chloranyl-2-cyano-ethyl)phenyl]carbonylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[2-(2-chloranyl-2-cyano-ethyl)phenyl]carbonylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(2-chloro-2-cyano-ethyl)benzoyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[[2-(2-chloro-2-cyanoethyl)phenyl]-oxomethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(2-chloro-2-cyanoethyl)benzoyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(2-chloro-2-cyano-ethyl)benzoyl]amino]phenyl]cinchoninic acid Formula: C26H18ClN3O3 MolecularWeight: 455.89242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C#N)Cl)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC(C#N)Cl)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C26H18ClN3O3/c27-18(15-28)13-17-5-1-2-6-20(17)25(31)29-19-11-9-16(10-12-19)24-14-22(26(32)33)21-7-3-4-8-23(21)30-24/h1-12,14,18H,13H2,(H,29,31)(H,32,33)