ETHYL (3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H44N2O4
Molecular Weight	448.6386
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL (3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLATE

Structure Search

SMILES

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]([C@H](C1)N(CC=C)CC=C)N(C(C)=O)C(C)(C)C

InChI

InChIKey=IFQIYQMUGWXRFJ-RBZQAINGSA-N

InChI=1S/C26H44N2O4/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9/h10-11,18,21-24H,1-2,12-17H2,3-9H3/t22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H44N2O4
Molecular Weight	448.6386
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:50:09 GMT 2023` Edited by `admin` on `Sat Dec 16 18:50:09 GMT 2023`
Record UNII	KW8G9AX5K9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL (3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLATE

Common Name

English

1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(ACETYL(1,1-DIMETHYLETHYL)AMINO)-5-(DI-2-PROPEN-1-YLAMINO)-3-(1-ETHYLPROPOXY)-, ETHYL ESTER, (3R,4R,5S)-

Systematic Name

English

Code System Code Type Description

CAS

651324-07-1

Created by admin on Sat Dec 16 18:50:10 GMT 2023 , Edited by admin on Sat Dec 16 18:50:10 GMT 2023

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PUBCHEM

29933404

Created by admin on Sat Dec 16 18:50:10 GMT 2023 , Edited by admin on Sat Dec 16 18:50:10 GMT 2023

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FDA UNII

KW8G9AX5K9

Created by admin on Sat Dec 16 18:50:10 GMT 2023 , Edited by admin on Sat Dec 16 18:50:10 GMT 2023

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