| SpectraBase Spectrum ID |
ClLdfSnLKDp |
| Name |
1-Cyclopentene-1,3-dicarboxylic acid, 2-amino-3-cyano-4,5-di-4-pyridinyl-, diethyl ester |
| CAS Registry Number |
63080-71-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N4O4 |
| InChI |
InChI=1S/C22H22N4O4/c1-3-29-20(27)17-16(14-5-9-25-10-6-14)18(15-7-11-26-12-8-15)22(13-23,19(17)24)21(28)30-4-2/h5-12,16,18H,3-4,24H2,1-2H3/t16-,18+,22?/m1/s1 |
| InChIKey |
PHOCPFFCXFALBC-CKYAKLRSSA-N |
| Molecular Weight |
406.442 g/mol |
| SMILES |
NC1=C(C(=O)OCC)[C@]([C@@](C1(C(=O)OCC)C#N)(c1ccncc1)[H])(c1ccncc1)[H] |
| SPLASH |
splash10-0a4i-0096500000-ef7b057d6e580934e022 |
| Source of Spectrum |
H-60-627-0 |
| Synonyms |
(3R*,4R*)-1-amino-2-cyano-2,5-di(ethoxycarbonyl)-3,4-di(4-pyridyl)-5-cyclopentene
Diethyl (4R,5R)-2-amino-3-cyano-4,5-di(4-pyridinyl)-1-cyclopentene-1,3-dicarboxylate |
| Wiley ID |
1372116 |
