5-acetamido-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-acetamido-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-acetamido-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-acetamido-1-cyclopropyl-7-[3-(ethylaminomethyl)-1-pyrrolidinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-acetamido-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-acetamido-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidino]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H26F2N4O4 MolecularWeight: 448.463046

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1CCN(C1)C2=C(C3=C(C(=C2F)NC(=O)C)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CCNCC1CCN(C1)C2=C(C3=C(C(=C2F)NC(=O)C)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C22H26F2N4O4/c1-3-25-8-12-6-7-27(9-12)20-16(23)18(26-11(2)29)15-19(17(20)24)28(13-4-5-13)10-14(21(15)30)22(31)32/h10,12-13,25H,3-9H2,1-2H3,(H,26,29)(H,31,32)