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

Details

Stereochemistry EPIMERIC
Molecular Formula C19H25NO3
Molecular Weight 315.4067
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]oct-3-yl ?-formylbenzeneacetate

SMILES

CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(C=O)C3=CC=CC=C3

InChI

InChIKey=OAGQQBLOOSHJLU-KCUXLOIUSA-N
InChI=1S/C19H25NO3/c1-13(2)20-15-8-9-16(20)11-17(10-15)23-19(22)18(12-21)14-6-4-3-5-7-14/h3-7,12-13,15-18H,8-11H2,1-2H3/t15-,16+,17+,18?

HIDE SMILES / InChI

Molecular Formula C19H25NO3
Molecular Weight 315.4067
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:21 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:21 GMT 2025
Record UNII
F6R2MK2RMZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]oct-3-yl ?-formylbenzeneacetate
Systematic Name English
1?H,5?H-Nortropan-3?-ol, 8-isopropyl-, (±)-phenylmalonaldehydate (ester)
Preferred Name English
Benzeneacetic acid, ?-formyl-, 8-(1-methylethyl)-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)-
Systematic Name English
Benzeneacetic acid, ?-formyl-, (3-endo)-8-(1-methylethyl)-8-azabicyclo[3.2.1]oct-3-yl ester
Systematic Name English
Code System Code Type Description
FDA UNII
F6R2MK2RMZ
Created by admin on Wed Apr 02 19:16:21 GMT 2025 , Edited by admin on Wed Apr 02 19:16:21 GMT 2025
PRIMARY
CAS
22235-74-1
Created by admin on Wed Apr 02 19:16:21 GMT 2025 , Edited by admin on Wed Apr 02 19:16:21 GMT 2025
PRIMARY
PUBCHEM
73456799
Created by admin on Wed Apr 02 19:16:21 GMT 2025 , Edited by admin on Wed Apr 02 19:16:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY