1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; (6E)-3,7,11-trimethyl-3-dodeca-1,6,10-trienol IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid; (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol Formula: C32H44FN3O4 MolecularWeight: 553.707863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(C)(C=C)O)C)C.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H18FN3O3.C15H26O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h7-10,19H,1-6H2,(H,23,24);6,9,11,16H,1,7-8,10,12H2,2-5H3/b;14-11+