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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H26F3NO2
Molecular Weight 477.5174
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BEXIRESTRANT

SMILES

CC1=C([C@@H](OC2=C1C=CC(O)=C2)C3=CC=C(\C=C\CN4CC(CF)C4)C=C3)C5=CC(F)=CC(F)=C5

InChI

InChIKey=DVZLOPUYTKPWHJ-MPWQXXDYSA-N
InChI=1S/C29H26F3NO2/c1-18-26-9-8-25(34)14-27(26)35-29(28(18)22-11-23(31)13-24(32)12-22)21-6-4-19(5-7-21)3-2-10-33-16-20(15-30)17-33/h2-9,11-14,20,29,34H,10,15-17H2,1H3/b3-2+/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H26F3NO2
Molecular Weight 477.5174
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BB35H436NB
Record Status Validated (UNII)
Record Version