| SpectraBase Spectrum ID |
F0TCKw8mipo |
| Name |
3-[(3R,7aS)-2-phenylperhydropyrrolo[1,2-c]imidazol-3-yl]-2-cyano-5-phenyl-2,3,4,5-tetrahydropyrrole-4-carboxylic acid methyl ester |
| Alternate Name(s) |
methyl 4-[(3R,7aS)-2-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]-5-cyano-2-phenyl-3-pyrrolidinecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28N4O2 |
| InChI |
InChI=1S/C25H28N4O2/c1-31-25(30)22-21(20(15-26)27-23(22)17-9-4-2-5-10-17)24-28-14-8-13-19(28)16-29(24)18-11-6-3-7-12-18/h2-7,9-12,19-24,27H,8,13-14,16H2,1H3/t19-,20?,21?,22?,23?,24+/m0/s1 |
| InChIKey |
NTYYEFBTHTYKSL-PWLXFYSASA-N |
| Molecular Weight |
416.525 g/mol |
| SMILES |
N1C(C(C(C1C#N)[C@]1(N(C[C@]2(N1CCC2)[H])c1ccccc1)[H])C(=O)OC)c1ccccc1 |
| SPLASH |
splash10-000i-0900000000-6420db2c939e54280015 |
| Source of Spectrum |
AJ-63-2864-12 |
| Wiley ID |
1376481 |
![3-[(3R,7aS)-2-phenylperhydropyrrolo[1,2-c]imidazol-3-yl]-2-cyano-5-phenyl-2,3,4,5-tetrahydropyrrole-4-carboxylic acid methyl ester](/api/spectrum/F0TCKw8mipo/structure.png?h=300&w=458 "3-[(3R,7aS)-2-phenylperhydropyrrolo[1,2-c]imidazol-3-yl]-2-cyano-5-phenyl-2,3,4,5-tetrahydropyrrole-4-carboxylic acid methyl ester")
