1-[[4-[3-(dimethylaminomethyl)phenyl]phenyl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[4-[3-(dimethylaminomethyl)phenyl]phenyl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[4-[3-(dimethylaminomethyl)phenyl]phenyl]methyl]-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[4-[3-(dimethylaminomethyl)phenyl]phenyl]methyl]-8-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[4-[3-(dimethylaminomethyl)phenyl]phenyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[4-[3-(dimethylaminomethyl)phenyl]benzyl]-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H23FN2O3 MolecularWeight: 430.470823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC(=C1)C2=CC=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=CC(=C1)C2=CC=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C26H23FN2O3/c1-28(2)14-18-5-3-6-20(13-18)19-11-9-17(10-12-19)15-29-16-22(26(31)32)25(30)21-7-4-8-23(27)24(21)29/h3-13,16H,14-15H2,1-2H3,(H,31,32)