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Details

Stereochemistry ACHIRAL
Molecular Formula C27H27NO2
Molecular Weight 397.5088
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHM-081

SMILES

COC1=C2C=CC=CC2=C(C=C1)C(=O)C3=CN(CC4CCCCC4)C5=C3C=CC=C5

InChI

InChIKey=LMENRXZOUBANKQ-UHFFFAOYSA-N
InChI=1S/C27H27NO2/c1-30-26-16-15-23(20-11-5-6-13-22(20)26)27(29)24-18-28(17-19-9-3-2-4-10-19)25-14-8-7-12-21(24)25/h5-8,11-16,18-19H,2-4,9-10,17H2,1H3

HIDE SMILES / InChI

Molecular Formula C27H27NO2
Molecular Weight 397.5088
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
77TK99424J
Record Status Validated (UNII)
Record Version