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

Systemtic Name: 5-azanyl-7-[3-(1-azanylcyclopropyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-methylol-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CC(C(C4)C5(CC5)N)CO

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CC(C(C4)C5(CC5)N)CO

InChI

InChI=1S/C22H27FN4O4/c1-10-18-15(20(29)13(21(30)31)7-27(18)12-2-3-12)17(24)16(23)19(10)26-6-11(9-28)14(8-26)22(25)4-5-22/h7,11-12,14,28H,2-6,8-9,24-25H2,1H3,(H,30,31)