U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20N2O4
Molecular Weight 364.3945
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-709119

SMILES

COC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(OC)=C(OC)C=C4C3=O

InChI

InChIKey=ALARUQBUFAFMSJ-HNNXBMFYSA-N
InChI=1S/C21H20N2O4/c1-25-16-6-4-13(5-7-16)14-8-15-11-22-18-10-20(27-3)19(26-2)9-17(18)21(24)23(15)12-14/h4-7,9-12,15H,8H2,1-3H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20N2O4
Molecular Weight 364.3945
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
XY77O9033C
Record Status Validated (UNII)
Record Version