7-[4-[bis(2,2-dimethylpropoxy)methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[bis(2,2-dimethylpropoxy)methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[bis(2,2-dimethylpropoxy)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[bis(2,2-dimethylpropoxy)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[bis(2,2-dimethylpropoxy)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(dineopentyloxymethyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H40FN3O5 MolecularWeight: 505.622003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40FN3O5/c1-8-29-15-19(24(33)34)23(32)18-13-20(28)22(14-21(18)29)30-9-11-31(12-10-30)25(35-16-26(2,3)4)36-17-27(5,6)7/h13-15,25H,8-12,16-17H2,1-7H3,(H,33,34)