U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO3
Molecular Weight 367.4813
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADL-08-0011

SMILES

C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(O)=O)CC[C@@]1(C)C3=CC=CC(O)=C3

InChI

InChIKey=KSBSLJKYJXTATP-WCAVRKLYSA-N
InChI=1S/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H29NO3
Molecular Weight 367.4813
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3I1G16537O
Record Status Validated (UNII)
Record Version