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CAS Number: 754159-68-7
(R)-4-(benzyloxy)-3-(3-(diisopropylamino)-1-phenylpropyl)benzoic acid

Structure

(R)-4-(benzyloxy)-3-(3-(diisopropylamino)-1-phenylpropyl)benzoic acid
Name: (R)-4-(benzyloxy)-3-(3-(diisopropylamino)-1-phenylpropyl)benzoic acid
Synonyms:
General Information
Product Number: 754159687

CAS Registry Number 754159-68-7
Name:
Benzoic acid, 3-​[(1R)​-​3-​[bis(1-​methylethyl)​amino]​-​1-​phenylpropyl]​-​4-​(phenylmethoxy)​-

 

Chemical Formula: C29H35NO3
Exact Mass: 445.26
Molecular Weight: 445.59
m/z: 445.26 (100.0%), 446.27 (31.9%), 447.27 (5.5%)

 

InChI:InChI=1S/C29H35NO3/c1-21(2)30(22(3)4)18-17-26(24-13-9-6-10-14-24)27-19-25(29(31)32)15-16-28(27)33-20-23-11-7-5-8-12-23/h5-16,19,21-22,26H,17-18,20H2,1-4H3,(H,31,32)

InChI Key:KJWIVHKZEWPBJI-UHFFFAOYSA-N

Canonical SMILES:CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)OCC3=CC=CC=C3)C(C)C

Specification

98%

References

PCT Int. Appl. (2013), WO 2013046135 A1 20130404.                                  

PCT Int. Appl. (2012), WO 2012098560 A2 20120726.                                  

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