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

Details

Stereochemistry ACHIRAL
Molecular Formula C45H42N6O4
Molecular Weight 730.8528
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diethyl 2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-4,5-dicarboxylate

SMILES

CCCC1=NC(C(=O)OCC)=C(N1CC2=CC=C(C=C2)C3=C(C=CC=C3)C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC

InChI

InChIKey=LDLFZQYGXZMSMT-UHFFFAOYSA-N
InChI=1S/C45H42N6O4/c1-4-18-39-46-40(43(52)54-5-2)41(44(53)55-6-3)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30H,4-6,18,31H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Diethyl 2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-4,5-dicarboxylate
Systematic Name English
4,5-Diethyl 2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-4,5-dicarboxylate
Systematic Name English
1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-, 4,5-diethyl ester
Systematic Name English
1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-, diethyl ester
Systematic Name English
Code System Code Type Description
CAS
144690-53-9
Created by admin on Sat Dec 16 19:52:48 GMT 2023 , Edited by admin on Sat Dec 16 19:52:48 GMT 2023
PRIMARY
FDA UNII
L9NSU39QMR
Created by admin on Sat Dec 16 19:52:48 GMT 2023 , Edited by admin on Sat Dec 16 19:52:48 GMT 2023
PRIMARY
PUBCHEM
19036089
Created by admin on Sat Dec 16 19:52:48 GMT 2023 , Edited by admin on Sat Dec 16 19:52:48 GMT 2023
PRIMARY