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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31NO6
Molecular Weight 465.5381
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVE-0897

SMILES

COC1=CC=CC(=C1)C2=NC(CO[C@H]3CCC[C@H](C3)OCC4=CC=CC(C)=C4C(O)=O)=C(C)O2

InChI

InChIKey=IUCZODKTVLKZLV-PKTZIBPZSA-N
InChI=1S/C27H31NO6/c1-17-7-4-9-20(25(17)27(29)30)15-32-22-11-6-12-23(14-22)33-16-24-18(2)34-26(28-24)19-8-5-10-21(13-19)31-3/h4-5,7-10,13,22-23H,6,11-12,14-16H2,1-3H3,(H,29,30)/t22-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H31NO6
Molecular Weight 465.5381
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:55:08 UTC 2023
Edited
by admin
on Sat Dec 16 14:55:08 UTC 2023
Record UNII
QCP8DW2G1R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVE-0897
Code English
AVE0897
Code English
BENZOIC ACID, 2-((((1R,3S)-3-((2-(3-METHOXYPHENYL)-5-METHYL-4-OXAZOLYL)METHOXY)CYCLOHEXYL)OXY)METHYL)-6-METHYL-
Systematic Name English
2-((((1R,3S)-3-((2-(3-METHOXYPHENYL)-5-METHYLOXAZOL-4-YL)METHOXY)CYCLOHEXYL)OXY)METHYL)-6-METHYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
SMS_ID
300000041414
Created by admin on Sat Dec 16 14:55:08 UTC 2023 , Edited by admin on Sat Dec 16 14:55:08 UTC 2023
PRIMARY
CAS
710281-33-7
Created by admin on Sat Dec 16 14:55:08 UTC 2023 , Edited by admin on Sat Dec 16 14:55:08 UTC 2023
PRIMARY
PUBCHEM
59997891
Created by admin on Sat Dec 16 14:55:08 UTC 2023 , Edited by admin on Sat Dec 16 14:55:08 UTC 2023
PRIMARY
FDA UNII
QCP8DW2G1R
Created by admin on Sat Dec 16 14:55:08 UTC 2023 , Edited by admin on Sat Dec 16 14:55:08 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY