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Details

Stereochemistry RACEMIC
Molecular Formula C33H39NO5
Molecular Weight 529.6665
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 2-(4-(3-OXO-3-PHENYLPROPANOYL)PHENOXY)ETHYL 4-((2-ETHYLHEXYL)(METHYL)AMINO)BENZOATE

SMILES

CCCCC(CC)CN(C)C1=CC=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)C(=O)CC(=O)C3=CC=CC=C3

InChI

InChIKey=UONRGKALIXPQDW-UHFFFAOYSA-N
InChI=1S/C33H39NO5/c1-4-6-10-25(5-2)24-34(3)29-17-13-28(14-18-29)33(37)39-22-21-38-30-19-15-27(16-20-30)32(36)23-31(35)26-11-8-7-9-12-26/h7-9,11-20,25H,4-6,10,21-24H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C33H39NO5
Molecular Weight 529.6665
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:48 GMT 2023
Edited
by admin
on Fri Dec 15 15:33:48 GMT 2023
Record UNII
NQ3FCE1GMO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(3-OXO-3-PHENYLPROPANOYL)PHENOXY)ETHYL 4-((2-ETHYLHEXYL)(METHYL)AMINO)BENZOATE
Systematic Name English
4-N,N-(2-ETHYLHEXYL)METHYLAMINOBENZOIC ACID ESTER OF 4-(2-HYDROXYETHOXY)DIBENZOYLMETHANE
Systematic Name English
Code System Code Type Description
FDA UNII
NQ3FCE1GMO
Created by admin on Fri Dec 15 15:33:48 GMT 2023 , Edited by admin on Fri Dec 15 15:33:48 GMT 2023
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CAS
119103-93-4
Created by admin on Fri Dec 15 15:33:48 GMT 2023 , Edited by admin on Fri Dec 15 15:33:48 GMT 2023
PRIMARY
PUBCHEM
9806988
Created by admin on Fri Dec 15 15:33:48 GMT 2023 , Edited by admin on Fri Dec 15 15:33:48 GMT 2023
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