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Details

Stereochemistry ACHIRAL
Molecular Formula C28H27NO3
Molecular Weight 425.5189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-((6,6-DIMETHYL-6H-BENZO(C)CHROMEN-3-YL)METHYL)-1H-INDOL-3-YL)BUTANOIC ACID

SMILES

CC1(C)OC2=CC(CN3C=C(CCCC(O)=O)C4=C3C=CC=C4)=CC=C2C5=CC=CC=C15

InChI

InChIKey=OOAPODDRNBRPOL-UHFFFAOYSA-N
InChI=1S/C28H27NO3/c1-28(2)24-11-5-3-10-22(24)23-15-14-19(16-26(23)32-28)17-29-18-20(8-7-13-27(30)31)21-9-4-6-12-25(21)29/h3-6,9-12,14-16,18H,7-8,13,17H2,1-2H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C28H27NO3
Molecular Weight 425.5189
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:36:27 GMT 2025
Edited
by admin
on Mon Mar 31 22:36:27 GMT 2025
Record UNII
C3HVF3T92D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(1-((6,6-DIMETHYL-6H-BENZO(C)CHROMEN-3-YL)METHYL)-1H-INDOL-3-YL)BUTANOIC ACID
Systematic Name English
FR-119680
Preferred Name English
FR119680
Code English
1H-INDOLE-3-BUTANOIC ACID, 1-((6,6-DIMETHYL-6H-DIBENZO(B,D)PYRAN-3-YL)METHYL)-
Systematic Name English
1-((6,6-DIMETHYL-6H-DIBENZO(B,D)PYRAN-3-YL)METHYL)-1H-INDOLE-3-BUTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
C3HVF3T92D
Created by admin on Mon Mar 31 22:36:27 GMT 2025 , Edited by admin on Mon Mar 31 22:36:27 GMT 2025
PRIMARY
CAS
219566-51-5
Created by admin on Mon Mar 31 22:36:27 GMT 2025 , Edited by admin on Mon Mar 31 22:36:27 GMT 2025
PRIMARY
PUBCHEM
9867104
Created by admin on Mon Mar 31 22:36:27 GMT 2025 , Edited by admin on Mon Mar 31 22:36:27 GMT 2025
PRIMARY