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Details

Stereochemistry RACEMIC
Molecular Formula C25H24ClNO5
Molecular Weight 453.915
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NU-8231

SMILES

CCCN1C(=O)C2=C(C=CC=C2)C1(OC3=CC(OC)=C(O)C(OC)=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=XFOWKHLJKJBYOJ-UHFFFAOYSA-N
InChI=1S/C25H24ClNO5/c1-4-13-27-24(29)19-7-5-6-8-20(19)25(27,16-9-11-17(26)12-10-16)32-18-14-21(30-2)23(28)22(15-18)31-3/h5-12,14-15,28H,4,13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C25H24ClNO5
Molecular Weight 453.915
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
84PNF76RAH
Record Status Validated (UNII)
Record Version