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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H36ClF3N2O5
Molecular Weight 681.14
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5S)-5-((4-CARBOXYBUTYL)(2-(2-((3-CHLORO-4'-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-4-YL)METHOXY)PHENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-2-QUINOLINECARBOXYLIC ACID

SMILES

OC(=O)CCCCN(CCC1=CC=CC=C1OCC2=CC=C(C=C2Cl)C3=CC=C(C=C3)C(F)(F)F)[C@H]4CCCC5=C4C=CC(=N5)C(O)=O

InChI

InChIKey=XHLILZGNLWHVCB-XIFFEERXSA-N
InChI=1S/C37H36ClF3N2O5/c38-30-22-26(24-13-15-28(16-14-24)37(39,40)41)11-12-27(30)23-48-34-9-2-1-6-25(34)19-21-43(20-4-3-10-35(44)45)33-8-5-7-31-29(33)17-18-32(42-31)36(46)47/h1-2,6,9,11-18,22,33H,3-5,7-8,10,19-21,23H2,(H,44,45)(H,46,47)/t33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H36ClF3N2O5
Molecular Weight 681.14
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:57:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:33 GMT 2023
Record UNII
FUS54NU988
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5S)-5-((4-CARBOXYBUTYL)(2-(2-((3-CHLORO-4'-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-4-YL)METHOXY)PHENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-2-QUINOLINECARBOXYLIC ACID
Systematic Name English
2-QUINOLINECARBOXYLIC ACID, 5-((4-CARBOXYBUTYL)(2-(2-((3-CHLORO-4'-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-4-YL)METHOXY)PHENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-, (5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
163203577
Created by admin on Sat Dec 16 18:57:33 GMT 2023 , Edited by admin on Sat Dec 16 18:57:33 GMT 2023
PRIMARY
CAS
1542134-32-6
Created by admin on Sat Dec 16 18:57:33 GMT 2023 , Edited by admin on Sat Dec 16 18:57:33 GMT 2023
PRIMARY
FDA UNII
FUS54NU988
Created by admin on Sat Dec 16 18:57:33 GMT 2023 , Edited by admin on Sat Dec 16 18:57:33 GMT 2023
PRIMARY