1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(3-oxidanylidene-3-phenylmethoxy-propyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(3-oxidanylidene-3-phenylmethoxy-propyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(3-benzyloxy-3-oxo-propyl)piperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(3-oxo-3-phenylmethoxypropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(3-oxo-3-phenylmethoxypropyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[4-(3-benzoxy-3-keto-propyl)piperazino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H27F2N3O5 MolecularWeight: 511.517186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27F2N3O5/c28-21-14-19-24(32(18-6-7-18)15-20(26(19)34)27(35)36)23(29)25(21)31-12-10-30(11-13-31)9-8-22(33)37-16-17-4-2-1-3-5-17/h1-5,14-15,18H,6-13,16H2,(H,35,36)