Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H18O8.C17H26N2O2 |
| Molecular Weight | 676.7527 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNCCC[C@](C#N)(C(C)C)C1=CC=C(OC)C(OC)=C1.CC2=CC=C(C=C2)C(=O)O[C@@H]([C@H](OC(=O)C3=CC=C(C)C=C3)C(O)=O)C(O)=O
InChI
InChIKey=ICULOXLVKOCWQN-CPVHSMKDSA-N
InChI=1S/C20H18O8.C17H26N2O2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);7-8,11,13,19H,6,9-10H2,1-5H3/t15-,16-;17-/m00/s1
Approval Year
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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166306-39-4
Created by
admin on Wed Apr 02 18:19:22 GMT 2025 , Edited by admin on Wed Apr 02 18:19:22 GMT 2025
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WTM68CP4GA
Created by
admin on Wed Apr 02 18:19:22 GMT 2025 , Edited by admin on Wed Apr 02 18:19:22 GMT 2025
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PRIMARY |
![Structure of Benzeneacetonitrile, 3,4-dimethoxy-?-[3-(methylamino)propyl]-?-(1-methylethyl)-, (S)-, [S-(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (1:1)](/img/2295e69f-17de-400e-be40-d95f2524d0f9.svg "Structure of Benzeneacetonitrile, 3,4-dimethoxy-?-[3-(methylamino)propyl]-?-(1-methylethyl)-, (S)-, [S-(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (1:1)")