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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[2-(hexylamino)ethylamino]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[2-(hexylamino)ethylamino]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[2-(hexylamino)ethylamino]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[2-(hexylamino)ethylamino]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[2-(hexylamino)ethylamino]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H30FN3O4 MolecularWeight: 419.489703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCCNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CCCCCCNCCNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C22H30FN3O4/c1-3-4-5-6-9-24-10-11-25-18-17(23)12-15-19(21(18)30-2)26(14-7-8-14)13-16(20(15)27)22(28)29/h12-14,24-25H,3-11H2,1-2H3,(H,28,29)