4-[2,2-bis(fluoranyl)-2-(1-methylpiperidin-2-yl)ethoxy]-7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 4-[2,2-bis(fluoranyl)-2-(1-methylpiperidin-2-yl)ethoxy]-7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 7-chloro-4-[2,2-difluoro-2-(1-methyl-2-piperidyl)ethoxy]-3-(3,5-dimethylphenyl)-2-oxo-1H-quinoline-6-carboxylic acid CAS Name: 7-chloro-4-[2,2-difluoro-2-(1-methyl-2-piperidinyl)ethoxy]-3-(3,5-dimethylphenyl)-2-oxo-1H-quinoline-6-carboxylic acid IUPAC Name: 7-chloro-4-[2,2-difluoro-2-(1-methylpiperidin-2-yl)ethoxy]-3-(3,5-dimethylphenyl)-2-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 7-chloro-4-[2,2-difluoro-2-(1-methyl-2-piperidyl)ethoxy]-3-(3,5-dimethylphenyl)-2-keto-1H-quinoline-6-carboxylic acid Formula: C26H27ClF2N2O4 MolecularWeight: 504.953386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)O)OCC(C4CCCCN4C)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)O)OCC(C4CCCCN4C)(F)F)C

InChI

InChI=1S/C26H27ClF2N2O4/c1-14-8-15(2)10-16(9-14)22-23(35-13-26(28,29)21-6-4-5-7-31(21)3)18-11-17(25(33)34)19(27)12-20(18)30-24(22)32/h8-12,21H,4-7,13H2,1-3H3,(H,30,32)(H,33,34)