| SpectraBase Spectrum ID |
Jgizf7w8zbH |
| Name |
3-Isoquinolinecarboxylic acid, 5-hydroxy-6-methoxy-1-[(4-methylphenyl)amino]-8-(1-propenyl)-, ethyl ester |
| Alternate Name(s) |
ethyl 5-hydroxy-6-methoxy-8-[(1E)-1-propenyl]-1-(4-toluidino)-3-isoquinolinecarboxylate |
| CAS Registry Number |
129708-21-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24N2O4 |
| InChI |
InChI=1S/C23H24N2O4/c1-5-7-15-12-19(28-4)21(26)17-13-18(23(27)29-6-2)25-22(20(15)17)24-16-10-8-14(3)9-11-16/h5,7-13,26H,6H2,1-4H3,(H,24,25)/b7-5+ |
| InChIKey |
QPCKDLDJDNHGNE-FNORWQNLSA-N |
| Molecular Weight |
392.455 g/mol |
| SMILES |
Oc1c(cc(c2c1cc(nc2Nc1ccc(cc1)C)C(=O)OCC)\C=C\C)OC |
| SPLASH |
splash10-0006-2009000000-3d4ab2a980e2320e7e4e |
| Source of Spectrum |
J-55-6145-19 |
| Wiley ID |
1365891 |
![3-Isoquinolinecarboxylic acid, 5-hydroxy-6-methoxy-1-[(4-methylphenyl)amino]-8-(1-propenyl)-, ethyl ester](/api/spectrum/Jgizf7w8zbH/structure.png?h=300&w=458 "3-Isoquinolinecarboxylic acid, 5-hydroxy-6-methoxy-1-[(4-methylphenyl)amino]-8-(1-propenyl)-, ethyl ester")
