| SpectraBase Spectrum ID |
HKvooJUnzuU |
| Name |
3-Isoquinolinecarboxylic acid, 1-[(4-fluorophenyl)amino]-5-hydroxy-6-methoxy-8-(1-propenyl)-, ethyl ester |
| CAS Registry Number |
129708-24-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21FN2O4 |
| InChI |
InChI=1S/C22H21FN2O4/c1-4-6-13-11-18(28-3)20(26)16-12-17(22(27)29-5-2)25-21(19(13)16)24-15-9-7-14(23)8-10-15/h4,6-12,26H,5H2,1-3H3,(H,24,25)/b6-4+ |
| InChIKey |
IKMDBEKGAHGUQA-GQCTYLIASA-N |
| Molecular Weight |
396.418 g/mol |
| SMILES |
Oc1c(cc(c2c1cc(nc2Nc1ccc(cc1)F)C(=O)OCC)\C=C\C)OC |
| SPLASH |
splash10-0a4j-0009000000-8ed7fa067d2da9a804ec |
| Source of Spectrum |
J-55-6146-19 |
| Synonyms |
ethyl 1-(4-fluoroanilino)-5-hydroxy-6-methoxy-8-[(1E)-1-propenyl]-3-isoquinolinecarboxylate |
| Wiley ID |
1367453 |
![3-Isoquinolinecarboxylic acid, 1-[(4-fluorophenyl)amino]-5-hydroxy-6-methoxy-8-(1-propenyl)-, ethyl ester](/api/spectrum/HKvooJUnzuU/structure.png?h=300&w=458 "3-Isoquinolinecarboxylic acid, 1-[(4-fluorophenyl)amino]-5-hydroxy-6-methoxy-8-(1-propenyl)-, ethyl ester")
