7-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-5-azanyl-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-5-azanyl-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(aminomethyl)-3-methyl-pyrrolidino]-1-cyclopropyl-8-ethoxy-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H27FN4O4 MolecularWeight: 418.461883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(C4)(C)CN

Isomeric SMILES

CCOC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(C4)(C)CN

InChI

InChI=1S/C21H27FN4O4/c1-3-30-19-16-13(18(27)12(20(28)29)8-26(16)11-4-5-11)15(24)14(22)17(19)25-7-6-21(2,9-23)10-25/h8,11H,3-7,9-10,23-24H2,1-2H3,(H,28,29)