Catalog Number:
AG001UJA
Chemical Name:
AZD9496
CAS Number:
1639042-08-2
Molecular Formula:
C25H25F3N2O2
Molecular Weight:
442.4734
MDL Number:
MFCD28902195
IUPAC Name:
(E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
InChI Key:
DFBDRVGWBHBJNR-BBNFHIFMSA-N
SMILES:
OC(=O)/C=C/c1cc(F)c(c(c1)F)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1
UNII:
DA9P7LN909
