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

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H19F2N3O3 MolecularWeight: 351.347866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)CN)F)C(=O)O

InChI

InChI=1S/C17H19F2N3O3/c1-2-21-8-11(17(24)25)16(23)10-5-12(18)15(13(19)14(10)21)22-4-3-9(6-20)7-22/h5,8-9H,2-4,6-7,20H2,1H3,(H,24,25)