7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(5-acetamido-1-methyl-isoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(5-acetamido-1-methyl-isoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H21F2N3O4 MolecularWeight: 453.438046

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F)C=C(C=C2)NC(=O)C

Isomeric SMILES

CC1C2=C(CN1C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F)C=C(C=C2)NC(=O)C

InChI

InChI=1S/C24H21F2N3O4/c1-11-16-6-3-14(27-12(2)30)7-13(16)9-28(11)22-19(25)8-17-21(20(22)26)29(15-4-5-15)10-18(23(17)31)24(32)33/h3,6-8,10-11,15H,4-5,9H2,1-2H3,(H,27,30)(H,32,33)