6-[(2,4-dichlorophenyl)methyl]-1-(2-dimethylaminoethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(2,4-dichlorophenyl)methyl]-1-(2-dimethylaminoethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2,4-dichlorophenyl)methyl]-1-(2-dimethylaminoethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2,4-dichlorophenyl)methyl]-1-(2-dimethylaminoethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2,4-dichlorophenyl)methyl]-1-(2-dimethylaminoethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2,4-dichlorobenzyl)-1-(2-dimethylaminoethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CN(C)CCN1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H20Cl2N2O3/c1-24(2)7-8-25-12-17(21(27)28)20(26)16-10-13(3-6-19(16)25)9-14-4-5-15(22)11-18(14)23/h3-6,10-12H,7-9H2,1-2H3,(H,27,28)