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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19F3N4O4
Molecular Weight 412.3631
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRX413

SMILES

OCCC(=N)NC[C@H]1CN(C(=O)O1)C2=CC(F)=C(N3CCC(=O)C=C3)C(F)=C2F

InChI

InChIKey=DWZSKWDQCQBLNL-NSHDSACASA-N
InChI=1S/C18H19F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(27)2-5-24)25-9-11(29-18(25)28)8-23-14(22)3-6-26/h1,4,7,11,26H,2-3,5-6,8-9H2,(H2,22,23)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19F3N4O4
Molecular Weight 412.3631
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6NUJ1DUX0B
Record Status Validated (UNII)
Record Version