7-[3-(dodecoxymethyl)-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(dodecoxymethyl)-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(dodecoxymethyl)-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(dodecoxymethyl)-4-methyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(dodecoxymethyl)-4-methylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(lauryloxymethyl)-4-methyl-piperazino]quinoline-3-carboxylic acid Formula: C30H46FN3O4 MolecularWeight: 531.702343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC1CN(CCN1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCCCCCCCOCC1CN(CCN1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C30H46FN3O4/c1-4-6-7-8-9-10-11-12-13-14-17-38-22-23-20-34(16-15-32(23)3)28-19-27-24(18-26(28)31)29(35)25(30(36)37)21-33(27)5-2/h18-19,21,23H,4-17,20,22H2,1-3H3,(H,36,37)