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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H34N2O5
Molecular Weight 526.6228
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (αR)-α-[[[(1R)-2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol

SMILES

COC1=CC=C(C[C@@H](C)N(C[C@H](O)C2=CC(=C(OCC3=CC=CC=C3)C=C2)[N+]([O-])=O)CC4=CC=CC=C4)C=C1

InChI

InChIKey=STIBLONETZHESW-XJFCNFDWSA-N
InChI=1S/C32H34N2O5/c1-24(19-25-13-16-29(38-2)17-14-25)33(21-26-9-5-3-6-10-26)22-31(35)28-15-18-32(30(20-28)34(36)37)39-23-27-11-7-4-8-12-27/h3-18,20,24,31,35H,19,21-23H2,1-2H3/t24-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H34N2O5
Molecular Weight 526.6228
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 Sat Dec 16 19:20:07 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:07 GMT 2023
Record UNII
J56WWP45BV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(αR)-α-[[[(1R)-2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol
Systematic Name English
Benzenemethanol, α-[[[(1R)-2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)-, (αR)-
Systematic Name English
Code System Code Type Description
FDA UNII
J56WWP45BV
Created by admin on Sat Dec 16 19:20:07 GMT 2023 , Edited by admin on Sat Dec 16 19:20:07 GMT 2023
PRIMARY
CAS
245759-65-3
Created by admin on Sat Dec 16 19:20:07 GMT 2023 , Edited by admin on Sat Dec 16 19:20:07 GMT 2023
PRIMARY
PUBCHEM
10952505
Created by admin on Sat Dec 16 19:20:07 GMT 2023 , Edited by admin on Sat Dec 16 19:20:07 GMT 2023
PRIMARY