7-[4-[2-(4-tert-butylphenoxy)ethanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[2-(4-tert-butylphenoxy)ethanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[2-(4-tert-butylphenoxy)-1-oxoethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[2-(4-tert-butylphenoxy)acetyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C28H32FN3O5 MolecularWeight: 509.569183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C(C)(C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C(C)(C)C)F)C(=O)O

InChI

InChI=1S/C28H32FN3O5/c1-5-30-16-21(27(35)36)26(34)20-14-22(29)24(15-23(20)30)31-10-12-32(13-11-31)25(33)17-37-19-8-6-18(7-9-19)28(2,3)4/h6-9,14-16H,5,10-13,17H2,1-4H3,(H,35,36)