7-(2-azanylethylamino)-6-fluoranyl-2-methyl-1-(3-methylbut-2-enyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylethylamino)-6-fluoranyl-2-methyl-1-(3-methylbut-2-enyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminoethylamino)-6-fluoro-2-methyl-1-(3-methylbut-2-enyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-aminoethylamino)-6-fluoro-2-methyl-1-(3-methylbut-2-enyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminoethylamino)-6-fluoro-2-methyl-1-(3-methylbut-2-enyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminoethylamino)-6-fluoro-4-keto-2-methyl-1-(3-methylbut-2-enyl)quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC(=C(C=C2N1CC=C(C)C)NCCN)F)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=CC(=C(C=C2N1CC=C(C)C)NCCN)F)C(=O)O

InChI

InChI=1S/C18H22FN3O3/c1-10(2)4-7-22-11(3)16(18(24)25)17(23)12-8-13(19)14(9-15(12)22)21-6-5-20/h4,8-9,21H,5-7,20H2,1-3H3,(H,24,25)