C-8778-GO

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H25NO3
Molecular Weight	291.3853
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCN1C(C)=C(CC(O)=O)C2=C1CC(C)(C)CC2=O

InChI

InChIKey=SASMKVAGXNJWKP-UHFFFAOYSA-N

InChI=1S/C17H25NO3/c1-5-6-7-18-11(2)12(8-15(20)21)16-13(18)9-17(3,4)10-14(16)19/h5-10H2,1-4H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula	C17H25NO3
Molecular Weight	291.3853
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 `Mon Mar 31 19:19:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:19:47 GMT 2025`
Record UNII	VKF96B465Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

C-8778-GO

Code

English

N(1)-(N-BUTYL)-2,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDROINDOLE-3-ACETIC ACID

Preferred Name

English

1H-INDOLE-3-ACETIC ACID, 1-BUTYL-4,5,6,7-TETRAHYDRO-2,6,6-TRIMETHYL-4-OXO-

Systematic Name

English

1H-INDOLE-3-ACETIC ACID, 4,5,6,7-TETRAHYDRO-1-BUTYL-4-OXO-2,6,6-TRIMETHYL-

Systematic Name

English

4,5,6,7-TETRAHYDRO-1-BUTYL-4-OXO-2,6,6-TRIMETHYL-INDOLE-3-ACETIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40153322

Created by admin on Mon Mar 31 19:19:47 GMT 2025 , Edited by admin on Mon Mar 31 19:19:47 GMT 2025

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FDA UNII

VKF96B465Z

Created by admin on Mon Mar 31 19:19:47 GMT 2025 , Edited by admin on Mon Mar 31 19:19:47 GMT 2025

PRIMARY

PUBCHEM

129461

Created by admin on Mon Mar 31 19:19:47 GMT 2025 , Edited by admin on Mon Mar 31 19:19:47 GMT 2025

PRIMARY

CAS

121625-71-6

Created by admin on Mon Mar 31 19:19:47 GMT 2025 , Edited by admin on Mon Mar 31 19:19:47 GMT 2025

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