6,8-bis(fluoranyl)-4-oxidanylidene-2-[(propan-2-ylamino)methyl]-1-pyrrolidin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-4-oxidanylidene-2-[(propan-2-ylamino)methyl]-1-pyrrolidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-2-[(isopropylamino)methyl]-4-oxo-1-pyrrolidin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-4-oxo-2-[(propan-2-ylamino)methyl]-1-(1-pyrrolidinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-4-oxo-2-[(propan-2-ylamino)methyl]-1-pyrrolidin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-2-[(isopropylamino)methyl]-4-keto-1-pyrrolidino-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=C(C(=O)C2=CC(=CC(=C2N1N3CCCC3)F)F)C(=O)O

Isomeric SMILES

CC(C)NCC1=C(C(=O)C2=CC(=CC(=C2N1N3CCCC3)F)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-10(2)21-9-14-15(18(25)26)17(24)12-7-11(19)8-13(20)16(12)23(14)22-5-3-4-6-22/h7-8,10,21H,3-6,9H2,1-2H3,(H,25,26)