7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-5-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-5-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-5-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-5-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-5-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-5-methoxy-quinoline-3-carboxylic acid Formula: C18H19ClFN3O4 MolecularWeight: 395.812563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)Cl)N4CCC(C4)N)F

Isomeric SMILES

COC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)Cl)N4CCC(C4)N)F

InChI

InChI=1S/C18H19ClFN3O4/c1-27-17-11-14(12(19)15(13(17)20)22-5-4-8(21)6-22)23(9-2-3-9)7-10(16(11)24)18(25)26/h7-9H,2-6,21H2,1H3,(H,25,26)