| SpectraBase Spectrum ID |
9zJYVcRfglx |
| Name |
3-Isoquinolinecarboxylic acid, 5-hydroxy-6-methoxy-1-(phenylamino)-8-(1-propenyl)-, ethyl ester |
| CAS Registry Number |
129708-06-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N2O4 |
| InChI |
InChI=1S/C22H22N2O4/c1-4-9-14-12-18(27-3)20(25)16-13-17(22(26)28-5-2)24-21(19(14)16)23-15-10-7-6-8-11-15/h4,6-13,25H,5H2,1-3H3,(H,23,24)/b9-4+ |
| InChIKey |
XZBGKPAFQKHPCV-RUDMXATFSA-N |
| Molecular Weight |
378.428 g/mol |
| SMILES |
Oc1c(cc(c2c1cc(nc2Nc1ccccc1)C(=O)OCC)\C=C\C)OC |
| SPLASH |
splash10-004i-9005000000-ead15aa63dbdc17e427e |
| Source of Spectrum |
J-55-6145-19 |
| Synonyms |
ethyl 1-anilino-5-hydroxy-6-methoxy-8-[(1E)-1-propenyl]-3-isoquinolinecarboxylate |
| Wiley ID |
1358850 |
