7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC4=CC=CC=C4C3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC4=CC=CC=C4C3)F)C(=O)O

InChI

InChI=1S/C21H19FN2O3/c1-2-23-12-16(21(26)27)20(25)15-9-17(22)19(10-18(15)23)24-8-7-13-5-3-4-6-14(13)11-24/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,26,27)