7-[(3R)-3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3R)-3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3R)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3R)-3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3R)-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(=C1N3CCC(C3)C(C)(C)N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1N3CC[C@H](C3)C(C)(C)N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C22H28FN3O4/c1-4-30-20-17-14(19(27)15(21(28)29)11-26(17)13-5-6-13)9-16(23)18(20)25-8-7-12(10-25)22(2,3)24/h9,11-13H,4-8,10,24H2,1-3H3,(H,28,29)/t12-/m1/s1