8-fluoranyl-4-oxidanylidene-1-[[4-(6-pyrrolidin-1-ylpyridin-3-yl)phenyl]methyl]quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-4-oxidanylidene-1-[[4-(6-pyrrolidin-1-ylpyridin-3-yl)phenyl]methyl]quinoline-3-carboxylic acid Openeye Name: 8-fluoro-4-oxo-1-[[4-(6-pyrrolidin-1-yl-3-pyridyl)phenyl]methyl]quinoline-3-carboxylic acid CAS Name: 8-fluoro-4-oxo-1-[[4-[6-(1-pyrrolidinyl)-3-pyridinyl]phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-4-oxo-1-[[4-(6-pyrrolidin-1-ylpyridin-3-yl)phenyl]methyl]quinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[4-(6-pyrrolidino-3-pyridyl)benzyl]quinoline-3-carboxylic acid Formula: C26H22FN3O3 MolecularWeight: 443.469583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C(=CC=C5)F)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C(=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H22FN3O3/c27-22-5-3-4-20-24(22)30(16-21(25(20)31)26(32)33)15-17-6-8-18(9-7-17)19-10-11-23(28-14-19)29-12-1-2-13-29/h3-11,14,16H,1-2,12-13,15H2,(H,32,33)