5,6,8-tris(fluoranyl)-4-oxidanylidene-1-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 5,6,8-tris(fluoranyl)-4-oxidanylidene-1-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 5,6,8-trifluoro-1-[2-[(isopropylamino)methyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5,6,8-trifluoro-4-oxo-1-[2-[(propan-2-ylamino)methyl]-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 5,6,8-trifluoro-4-oxo-1-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 5,6,8-trifluoro-1-[2-[(isopropylamino)methyl]pyrrolidino]-4-keto-quinoline-3-carboxylic acid Formula: C18H20F3N3O3 MolecularWeight: 383.36491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1CCCN1N2C=C(C(=O)C3=C2C(=CC(=C3F)F)F)C(=O)O

Isomeric SMILES

CC(C)NCC1CCCN1N2C=C(C(=O)C3=C2C(=CC(=C3F)F)F)C(=O)O

InChI

InChI=1S/C18H20F3N3O3/c1-9(2)22-7-10-4-3-5-23(10)24-8-11(18(26)27)17(25)14-15(21)12(19)6-13(20)16(14)24/h6,8-10,22H,3-5,7H2,1-2H3,(H,26,27)