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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27N3O3
Molecular Weight 393.4788
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-58996 FREE BASE

SMILES

CN(CC1(O)CCN(CCC2=CC=C(C=C2)C#N)CC1)C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=BTPZYVRIMMADTM-UHFFFAOYSA-N
InChI=1S/C23H27N3O3/c1-25(21-8-6-20(7-9-21)22(27)28)17-23(29)11-14-26(15-12-23)13-10-18-2-4-19(16-24)5-3-18/h2-9,29H,10-15,17H2,1H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H27N3O3
Molecular Weight 393.4788
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 09:33:36 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:36 GMT 2023
Record UNII
UP9V9DB2RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
M-58996 FREE BASE
Common Name English
4-(((1-(2-(4-CYANOPHENYL)ETHYL)-4-HYDROXY-4-PIPERIDINYL)METHYL)METHYLAMINO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(((1-(2-(4-CYANOPHENYL)ETHYL)-4-HYDROXY-4-PIPERIDINYL)METHYL)METHYLAMINO)-
Systematic Name English
Code System Code Type Description
CAS
477721-17-8
Created by admin on Sat Dec 16 09:33:36 GMT 2023 , Edited by admin on Sat Dec 16 09:33:36 GMT 2023
PRIMARY
FDA UNII
UP9V9DB2RD
Created by admin on Sat Dec 16 09:33:36 GMT 2023 , Edited by admin on Sat Dec 16 09:33:36 GMT 2023
PRIMARY
PUBCHEM
12986481
Created by admin on Sat Dec 16 09:33:36 GMT 2023 , Edited by admin on Sat Dec 16 09:33:36 GMT 2023
PRIMARY
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ACTIVE MOIETY