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Details

Stereochemistry ACHIRAL
Molecular Formula C31H37NO4
Molecular Weight 487.6298
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3′′-tert-butyl-4′-(2-hydroxyethoxy)-4′′-(pyrrolidin-1-yl)[1,1′:3′,1′′]terphenyl-4-carboxylate

SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C)=C(OCCO)C=C2

InChI

InChIKey=NDZZZIFSCDWRFC-UHFFFAOYSA-N
InChI=1S/C31H37NO4/c1-5-35-30(34)23-10-8-22(9-11-23)24-13-15-29(36-19-18-33)26(20-24)25-12-14-28(32-16-6-7-17-32)27(21-25)31(2,3)4/h8-15,20-21,33H,5-7,16-19H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C31H37NO4
Molecular Weight 487.6298
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:22:59 GMT 2023
Edited
by admin
on Sat Dec 16 19:22:59 GMT 2023
Record UNII
ZC36FZ5W87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3′′-tert-butyl-4′-(2-hydroxyethoxy)-4′′-(pyrrolidin-1-yl)[1,1′:3′,1′′]terphenyl-4-carboxylate
Systematic Name English
[1,1′:3′,1′′-Terphenyl]-4-carboxylic acid, 3′′-(1,1-dimethylethyl)-4′-(2-hydroxyethoxy)-4′′-(1-pyrrolidinyl)-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
11525990
Created by admin on Sat Dec 16 19:22:59 GMT 2023 , Edited by admin on Sat Dec 16 19:22:59 GMT 2023
PRIMARY
CAS
895542-08-2
Created by admin on Sat Dec 16 19:22:59 GMT 2023 , Edited by admin on Sat Dec 16 19:22:59 GMT 2023
PRIMARY
FDA UNII
ZC36FZ5W87
Created by admin on Sat Dec 16 19:22:59 GMT 2023 , Edited by admin on Sat Dec 16 19:22:59 GMT 2023
PRIMARY