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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H22ClNO4
Molecular Weight 387.857
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIMETHOMORPH, (Z)-

SMILES

COC1=CC=C(C=C1OC)C(=C/C(=O)N2CCOCC2)\C3=CC=C(Cl)C=C3

InChI

InChIKey=QNBTYORWCCMPQP-JXAWBTAJSA-N
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-

HIDE SMILES / InChI

Molecular Formula C21H22ClNO4
Molecular Weight 387.857
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
37V7980RBV
Record Status Validated (UNII)
Record Version