5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-phenylbutylamino)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-phenylbutylamino)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-phenylbutylamino)quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-phenylbutylamino)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-phenylbutylamino)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(4-phenylbutylamino)quinoline-3-carboxylic acid Formula: C23H23F2N3O3 MolecularWeight: 427.443826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCCCC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCCCC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C23H23F2N3O3/c24-17-19(26)16-21(28(14-9-10-14)12-15(22(16)29)23(30)31)18(25)20(17)27-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,14,27H,4-5,8-11,26H2,(H,30,31)