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Details

Stereochemistry ACHIRAL
Molecular Formula C33H39NO4
Molecular Weight 513.6671
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-?,?-dimethylphenylacetate

SMILES

COC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=PGQMZSGBFIPEKX-UHFFFAOYSA-N
InChI=1S/C33H39NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,37H,10,15,20-24H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C33H39NO4
Molecular Weight 513.6671
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 Wed Apr 02 14:41:46 GMT 2025
Edited
by admin
on Wed Apr 02 14:41:46 GMT 2025
Record UNII
86584LWW7F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester
Preferred Name English
Methyl 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-?,?-dimethylphenylacetate
Systematic Name English
Methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-?,?-dimethylbenzeneacetate
Systematic Name English
4-[4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-?,?-dimethylbenzeneacetic acid methyl ester
Systematic Name English
Benzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-?,?-dimethyl-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
9958101
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY
SMS_ID
300000052838
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY
FDA UNII
86584LWW7F
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY
CAS
154477-55-1
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID00743248
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY