(3aR,4R,5R,6aS)-4-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl [1,1′-biphenyl]-4-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H26F2O5
Molecular Weight	504.5212
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (3aR,4R,5R,6aS)-4-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl [1,1′-biphenyl]-4-carboxylate

Structure Search

SMILES

[H][C@]12C[C@@H](OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[C@H](\C=C\C(F)(F)COC5=CC=CC=C5)[C@@]1([H])CC(=O)O2

InChI

InChIKey=YPWLURRSSKUPIX-STPUXQIESA-N

InChI=1S/C30H26F2O5/c31-30(32,19-35-23-9-5-2-6-10-23)16-15-24-25-17-28(33)36-27(25)18-26(24)37-29(34)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-16,24-27H,17-19H2/b16-15+/t24-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H26F2O5
Molecular Weight	504.5212
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:54:49 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:49 GMT 2023`
Record UNII	5AZR7KAW24
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3aR,4R,5R,6aS)-4-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl [1,1′-biphenyl]-4-carboxylate

Systematic Name

English

[1,1′-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-4-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester

Systematic Name

English

Code System Code Type Description

CAS

2226086-11-7

Created by admin on Sat Dec 16 19:54:49 GMT 2023 , Edited by admin on Sat Dec 16 19:54:49 GMT 2023

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PUBCHEM

168429553

Created by admin on Sat Dec 16 19:54:49 GMT 2023 , Edited by admin on Sat Dec 16 19:54:49 GMT 2023

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FDA UNII

5AZR7KAW24

Created by admin on Sat Dec 16 19:54:49 GMT 2023 , Edited by admin on Sat Dec 16 19:54:49 GMT 2023

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