AHR-5645B

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H27N3O.C4H4O4
Molecular Weight	417.4986
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN(C1CCN(C1)C2CCCCC2)C(=O)C3=CC=C(N)C=C3

InChI

InChIKey=UUTCSRWJAKFMIJ-WLHGVMLRSA-N

InChI=1S/C18H27N3O.C4H4O4/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h7-10,16-17H,2-6,11-13,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C18H27N3O
Molecular Weight	301.4265
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:10:41 GMT 2025` Edited by `admin` on `Tue Apr 01 20:10:41 GMT 2025`
Record UNII	RB3RAZ5FWL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZAMIDE, 4-AMINO-N-(1-CYCLOHEXYL-3-PYRROLIDINYL)-N-METHYL-, (2E)-2-BUTENEDIOATE

Preferred Name

English

AHR-5645B

Common Name

English

BENZAMIDE, 4-AMINO-N-(1-CYCLOHEXYL-3-PYRROLIDINYL)-N-METHYL-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

BENZAMIDE, 4-AMINO-N-(1-CYCLOHEXYL-3-PYRROLIDINYL)-N-METHYL-, (E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

102585-97-7