AH-23848

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H35NO5
Molecular Weight	477.5919
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC\C=C/CC[C@@H]1[C@@H](CC(=O)[C@H]1N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChIKey=IOFUFYLETVNNRF-FKQKSGFWSA-N

InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H35NO5
Molecular Weight	477.5919
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:51:53 GMT 2023` Edited by `admin` on `Sat Dec 16 09:51:53 GMT 2023`
Record UNII	9NEV21ZEL6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AH-23848

Common Name

English

AH-23848B

Code

English

REL-(4Z)-7-((1R,2R,5S)-5-((1,1'-BIPHENYL)-4-YLMETHOXY)-2-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL)-4-HEPTENOIC ACID

Systematic Name

English

4-HEPTENOIC ACID, 7-(5-((1,1'-BIPHENYL)-4-YLMETHOXY)-2-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL)-, (1.ALPHA.(Z),2.BETA.,5.ALPHA.)-(±)-

Systematic Name

English

4-HEPTENOIC ACID, 7-((1R,2R,5S)-5-((1,1'-BIPHENYL)-4-YLMETHOXY)-2-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL)-, (4Z)-REL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701109678