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Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO3
Molecular Weight 287.3535
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl N-(1-oxo-1-phenylhex-5-yn-2-yl)carbamate, (RS)-

SMILES

CC(C)(C)OC(=O)NC(CCC#C)C(=O)C1=CC=CC=C1

InChI

InChIKey=YGQXSSDTHMMMPH-UHFFFAOYSA-N
InChI=1S/C17H21NO3/c1-5-6-12-14(18-16(20)21-17(2,3)4)15(19)13-10-8-7-9-11-13/h1,7-11,14H,6,12H2,2-4H3,(H,18,20)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,1-Dimethylethyl N-(1-benzoyl-4-pentyn-1-yl)carbamate
Preferred Name English
tert-Butyl N-(1-oxo-1-phenylhex-5-yn-2-yl)carbamate, (RS)-
Systematic Name English
tert-Butyl N-(1-oxo-1-phenylhex-5-yn-2-yl)carbamate
Systematic Name English
Carbamic acid, N-(1-benzoyl-4-pentyn-1-yl)-, 1,1-dimethylethyl ester
Systematic Name English
Code System Code Type Description
CAS
1437235-48-7
Created by admin on Wed Apr 02 19:49:50 GMT 2025 , Edited by admin on Wed Apr 02 19:49:50 GMT 2025
PRIMARY
PUBCHEM
89584547
Created by admin on Wed Apr 02 19:49:50 GMT 2025 , Edited by admin on Wed Apr 02 19:49:50 GMT 2025
PRIMARY
FDA UNII
CD84884ZWG
Created by admin on Wed Apr 02 19:49:50 GMT 2025 , Edited by admin on Wed Apr 02 19:49:50 GMT 2025
PRIMARY
NIH
NCATS
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