1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[oxolan-2-ylmethyl(2-pyridin-4-ylethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[oxolan-2-ylmethyl(2-pyridin-4-ylethyl)amino]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-pyridyl)ethyl-(tetrahydrofuran-2-ylmethyl)amino]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[2-oxolanylmethyl(2-pyridin-4-ylethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[oxolan-2-ylmethyl(2-pyridin-4-ylethyl)amino]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[2-(4-pyridyl)ethyl-(tetrahydrofurfuryl)amino]quinoline-3-carboxylic acid Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CCC2=CC=NC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

C1CC(OC1)CN(CCC2=CC=NC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H26FN3O4/c26-21-12-19-22(29(17-3-4-17)15-20(24(19)30)25(31)32)13-23(21)28(14-18-2-1-11-33-18)10-7-16-5-8-27-9-6-16/h5-6,8-9,12-13,15,17-18H,1-4,7,10-11,14H2,(H,31,32)