| SpectraBase Spectrum ID |
Hr02nrrI0a6 |
| Name |
2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioic acid diethyl ester |
| Alternate Name(s) |
2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydro-$b-carbolin-1-yl]ethyl]malonic acid diethyl ester
Diethyl 2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioate
Diethyl 2-[2-[(1S,3S)-3-cyano-2-[2,2,2-tris(fluoranyl)ethanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioate |
| CAS Registry Number |
117626-46-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24F3N3O5 |
| InChI |
InChI=1S/C23H24F3N3O5/c1-3-33-20(30)15(21(31)34-4-2)9-10-18-19-16(14-7-5-6-8-17(14)28-19)11-13(12-27)29(18)22(32)23(24,25)26/h5-8,13,15,18,28H,3-4,9-11H2,1-2H3/t13-,18-/m0/s1 |
| InChIKey |
ZVIJXRWLFJNESF-UGSOOPFHSA-N |
| Molecular Weight |
479.456 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1[C@@](N([C@@](C2)(C#N)[H])C(C(F)(F)F)=O)(CCC(C(=O)OCC)C(=O)OCC)[H] |
| SPLASH |
splash10-0006-0191200000-79b6a92ea4b74a10007c |
| Source of Spectrum |
C-111-307-25 |
| Wiley ID |
1394967 |
![2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioic acid diethyl ester](/api/spectrum/Hr02nrrI0a6/structure.png?h=300&w=458 "2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioic acid diethyl ester")
