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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18Cl3NO2
Molecular Weight 398.711
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNC-22-0215

SMILES

CN1CCC2=CC(Cl)=C(O)C=C2[C@H](C1)C3=C4OCCC4=CC(Cl)=C3Cl

InChI

InChIKey=XTBPVXNRDRWQNN-ZDUSSCGKSA-N
InChI=1S/C19H18Cl3NO2/c1-23-4-2-10-6-14(20)16(24)8-12(10)13(9-23)17-18(22)15(21)7-11-3-5-25-19(11)17/h6-8,13,24H,2-5,9H2,1H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H18Cl3NO2
Molecular Weight 398.711
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
WW6D984DPY
Record Status Validated (UNII)
Record Version