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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIMETHOXY-1-(N-METHYLAMINOMETHYL)BENZOCYCLOBUTANE

SMILES

CNC[C@H]1CC2=CC(OC)=C(OC)C=C12

InChI

InChIKey=SAVVFXUMMFHSJC-SECBINFHSA-N
InChI=1S/C12H17NO2/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9/h5-6,9,13H,4,7H2,1-3H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
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
SH7YT359XL
Record Status Validated (UNII)
Record Version