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

Systemtic Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[3-(ethylaminomethyl)-1-pyrrolidinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[3-(ethylaminomethyl)pyrrolidino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O3/c1-5-23-10-13-6-7-24(11-13)18-9-17-14(8-16(18)22)19(26)15(20(27)28)12-25(17)21(2,3)4/h8-9,12-13,23H,5-7,10-11H2,1-4H3,(H,27,28)