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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29N3O3
Molecular Weight 371.4733
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed S stereochemistry

SHOW SMILES / InChI
Structure of EDMB-4EN-PINACA

SMILES

CCOC(=O)[C@@H](NC(=O)C1=NN(CCCC=C)C2=C1C=CC=C2)C(C)(C)C

InChI

InChIKey=GVDSDIBXUGMOMD-GOSISDBHSA-N
InChI=1S/C21H29N3O3/c1-6-8-11-14-24-16-13-10-9-12-15(16)17(23-24)19(25)22-18(21(3,4)5)20(26)27-7-2/h6,9-10,12-13,18H,1,7-8,11,14H2,2-5H3,(H,22,25)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29N3O3
Molecular Weight 371.4733
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
3B492D34GT
Record Status Validated (UNII)
Record Version