1-cyclopropyl-7-[3-(2-ethylhexylamino)propylamino]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[3-(2-ethylhexylamino)propylamino]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(2-ethylhexylamino)propylamino]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-(2-ethylhexylamino)propylamino]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(2-ethylhexylamino)propylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-(2-ethylhexylamino)propylamino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H36FN3O4 MolecularWeight: 461.569443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCCCNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CCCCC(CC)CNCCCNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C25H36FN3O4/c1-4-6-8-16(5-2)14-27-11-7-12-28-21-20(26)13-18-22(24(21)33-3)29(17-9-10-17)15-19(23(18)30)25(31)32/h13,15-17,27-28H,4-12,14H2,1-3H3,(H,31,32)