2-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[3-(1-amino-1-methyl-ethyl)pyrrolidino]-1-cyclopropyl-8-ethoxy-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)F)C(=O)C(=C(N2C3CC3)N4CCC(C4)C(C)(C)N)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)F)C(=O)C(=C(N2C3CC3)N4CCC(C4)C(C)(C)N)C(=O)O

InChI

InChI=1S/C22H28FN3O4/c1-4-30-16-10-13(23)9-15-18(16)26(14-5-6-14)20(17(19(15)27)21(28)29)25-8-7-12(11-25)22(2,3)24/h9-10,12,14H,4-8,11,24H2,1-3H3,(H,28,29)