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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26ClNO3
Molecular Weight 351.868
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-2-(3,4-dimethyl-3-penten-1-yl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-6-quinolinecarboxylic acid, (2S,3R)-

SMILES

COC[C@]1(CCC(C)=C(C)C)NC2=CC=C(C=C2C[C@H]1Cl)C(O)=O

InChI

InChIKey=FWINDTDIQJWMLC-MJGOQNOKSA-N
InChI=1S/C19H26ClNO3/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(22)23)5-6-16(15)21-19/h5-6,9,17,21H,7-8,10-11H2,1-4H3,(H,22,23)/t17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26ClNO3
Molecular Weight 351.868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 15:40:24 GMT 2025
Edited
by admin
on Wed Apr 02 15:40:24 GMT 2025
Record UNII
NFH9PP6RNQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3R)-3-Chloro-2-(3,4-dimethyl-3-penten-1-yl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-6-quinolinecarboxylic acid
Preferred Name English
3-Chloro-2-(3,4-dimethyl-3-penten-1-yl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-6-quinolinecarboxylic acid, (2S,3R)-
Systematic Name English
6-Quinolinecarboxylic acid, 3-chloro-2-(3,4-dimethyl-3-pentenyl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-, (2S,3R)-
Systematic Name English
6-Quinolinecarboxylic acid, 3-chloro-2-(3,4-dimethyl-3-penten-1-yl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-, (2S,3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14107069
Created by admin on Wed Apr 02 15:40:24 GMT 2025 , Edited by admin on Wed Apr 02 15:40:24 GMT 2025
PRIMARY
CAS
209259-08-5
Created by admin on Wed Apr 02 15:40:24 GMT 2025 , Edited by admin on Wed Apr 02 15:40:24 GMT 2025
PRIMARY
FDA UNII
NFH9PP6RNQ
Created by admin on Wed Apr 02 15:40:24 GMT 2025 , Edited by admin on Wed Apr 02 15:40:24 GMT 2025
PRIMARY
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