7-(butylaminomethyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-8,8a-dihydroquinoline-3-carboxylic acid

Systemtic Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-8,8a-dihydroquinoline-3-carboxylic acid Openeye Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-8,8a-dihydroquinoline-3-carboxylic acid CAS Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-8,8a-dihydroquinoline-3-carboxylic acid IUPAC Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-8,8a-dihydroquinoline-3-carboxylic acid Traditional Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-keto-8,8a-dihydroquinoline-3-carboxylic acid Formula: C18H22F2N2O3 MolecularWeight: 352.375686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C=C2C(C1F)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CCCCNCC1=C(C=C2C(C1F)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C18H22F2N2O3/c1-2-3-6-21-8-12-14(19)7-11-16(15(12)20)22(10-4-5-10)9-13(17(11)23)18(24)25/h7,9-10,15-16,21H,2-6,8H2,1H3,(H,24,25)