6-[[2,3-bis(chloranyl)phenyl]methyl]-4-oxidanylidene-1-phenethyl-quinoline-3-carboxylic acid

Systemtic Name: 6-[[2,3-bis(chloranyl)phenyl]methyl]-4-oxidanylidene-1-phenethyl-quinoline-3-carboxylic acid Openeye Name: 6-[(2,3-dichlorophenyl)methyl]-4-oxo-1-phenethyl-quinoline-3-carboxylic acid CAS Name: 6-[(2,3-dichlorophenyl)methyl]-4-oxo-1-phenethyl-3-quinolinecarboxylic acid IUPAC Name: 6-[(2,3-dichlorophenyl)methyl]-4-oxo-1-phenethylquinoline-3-carboxylic acid Traditional Name: 6-(2,3-dichlorobenzyl)-4-keto-1-phenethyl-quinoline-3-carboxylic acid Formula: C25H19Cl2NO3 MolecularWeight: 452.32926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C25H19Cl2NO3/c26-21-8-4-7-18(23(21)27)13-17-9-10-22-19(14-17)24(29)20(25(30)31)15-28(22)12-11-16-5-2-1-3-6-16/h1-10,14-15H,11-13H2,(H,30,31)