1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(octylamino)propylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(octylamino)propylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(octylamino)propylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(octylamino)propylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(octylamino)propylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(octylamino)propylamino]quinoline-3-carboxylic acid Formula: C25H36FN3O4 MolecularWeight: 461.569443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CCCCCCCCNCCCNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C25H36FN3O4/c1-3-4-5-6-7-8-12-27-13-9-14-28-21-20(26)15-18-22(24(21)33-2)29(17-10-11-17)16-19(23(18)30)25(31)32/h15-17,27-28H,3-14H2,1-2H3,(H,31,32)