1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(6-oxidanylidene-6-phenylmethoxy-hexyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(6-oxidanylidene-6-phenylmethoxy-hexyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(6-benzyloxy-6-oxo-hexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(6-oxo-6-phenylmethoxyhexyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(6-oxo-6-phenylmethoxyhexyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[4-(6-benzoxy-6-keto-hexyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C30H34FN3O5 MolecularWeight: 535.606463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CCCCCC(=O)OCC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CCCCCC(=O)OCC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C30H34FN3O5/c31-25-17-23-26(34(22-10-11-22)19-24(29(23)36)30(37)38)18-27(25)33-15-13-32(14-16-33)12-6-2-5-9-28(35)39-20-21-7-3-1-4-8-21/h1,3-4,7-8,17-19,22H,2,5-6,9-16,20H2,(H,37,38)