2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-7,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-7,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(5,7-dichlorobenzofuran-2-yl)-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(5,7-dichloro-2-benzofuranyl)-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5,7-dichloro-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(5,7-dichlorobenzofuran-2-yl)-7,8-dimethyl-cinchoninic acid Formula: C20H13Cl2NO3 MolecularWeight: 386.22812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C(=O)O)C

InChI

InChI=1S/C20H13Cl2NO3/c1-9-3-4-13-14(20(24)25)8-16(23-18(13)10(9)2)17-6-11-5-12(21)7-15(22)19(11)26-17/h3-8H,1-2H3,(H,24,25)