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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H31NO3
Molecular Weight 309.4436
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (1R,5R,6R)-7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate

SMILES

[H][C@@]12CC(=C[C@@H](OC(CC)CC)[C@]1([H])N2C(C)(C)C)C(=O)OCC

InChI

InChIKey=UXYQFYXXRVMJMV-OJEBHDCCSA-N
InChI=1S/C18H31NO3/c1-7-13(8-2)22-15-11-12(17(20)21-9-3)10-14-16(15)19(14)18(4,5)6/h11,13-16H,7-10H2,1-6H3/t14-,15-,16-,19?/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H31NO3
Molecular Weight 309.4436
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:58:17 GMT 2023
Edited
by admin
on Sat Dec 16 19:58:17 GMT 2023
Record UNII
DN543D56FF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (1R,5R,6R)-7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate
Systematic Name English
7-Azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-, ethyl ester, (1R,5R,6R)-
Common Name English
Code System Code Type Description
FDA UNII
DN543D56FF
Created by admin on Sat Dec 16 19:58:17 GMT 2023 , Edited by admin on Sat Dec 16 19:58:17 GMT 2023
PRIMARY
PUBCHEM
134990133
Created by admin on Sat Dec 16 19:58:17 GMT 2023 , Edited by admin on Sat Dec 16 19:58:17 GMT 2023
PRIMARY
CAS
2417645-75-9
Created by admin on Sat Dec 16 19:58:17 GMT 2023 , Edited by admin on Sat Dec 16 19:58:17 GMT 2023
PRIMARY