Catalog Number:
AG001L9U
Chemical Name:
Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
CAS Number:
148901-69-3
Molecular Formula:
C27H26FNO4
Molecular Weight:
447.4980
MDL Number:
MFCD11041029
IUPAC Name:
ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate
InChI:
InChI=1S/C27H26FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20,30H,2,7-8,15-16H2,1H3/b14-13+
InChI Key:
DPBQVLWVWXLRGW-BUHFOSPRSA-N
SMILES:
CCOC(=O)CC(=O)CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O
EC Number:
604-664-8