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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27N3O5
Molecular Weight 437.4883
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzoate

SMILES

COC(=O)C1=C(OC(C)C)C=CC(=C1)C2=NC(=NO2)C3=C4CC[C@H](NCCO)C4=CC=C3

InChI

InChIKey=GHANPPUFCJJUFP-FQEVSTJZSA-N
InChI=1S/C24H27N3O5/c1-14(2)31-21-10-7-15(13-19(21)24(29)30-3)23-26-22(27-32-23)18-6-4-5-17-16(18)8-9-20(17)25-11-12-28/h4-7,10,13-14,20,25,28H,8-9,11-12H2,1-3H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27N3O5
Molecular Weight 437.4883
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:57 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:57 GMT 2025
Record UNII
NC6YW7Y49H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzoate
Systematic Name English
Benzoic acid, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, methyl ester
Preferred Name English
Code System Code Type Description
CAS
2918298-57-2
Created by admin on Wed Apr 02 21:23:57 GMT 2025 , Edited by admin on Wed Apr 02 21:23:57 GMT 2025
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FDA UNII
NC6YW7Y49H
Created by admin on Wed Apr 02 21:23:57 GMT 2025 , Edited by admin on Wed Apr 02 21:23:57 GMT 2025
PRIMARY
PUBCHEM
155420514
Created by admin on Wed Apr 02 21:23:57 GMT 2025 , Edited by admin on Wed Apr 02 21:23:57 GMT 2025
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