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

Systemtic Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[3-(ethylaminomethyl)-1-pyrrolidinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidino]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H27F2N3O3 MolecularWeight: 407.454186

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

Isomeric SMILES

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

InChI

InChI=1S/C21H27F2N3O3/c1-5-24-9-12-6-7-25(10-12)18-15(22)8-13-17(16(18)23)26(21(2,3)4)11-14(19(13)27)20(28)29/h8,11-12,24H,5-7,9-10H2,1-4H3,(H,28,29)