| SpectraBase Spectrum ID |
LXQEeNAwHTl |
| Name |
5-(Benzyloxy)-3-(ethoxycarbonyl)-6-methoxy-1-(phenyl-amino)isoquinoline |
| Alternate Name(s) |
ethyl 1-anilino-5-(benzyloxy)-6-methoxy-3-isoquinolinecarboxylate |
| CAS Registry Number |
129708-08-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H24N2O4 |
| InChI |
InChI=1S/C26H24N2O4/c1-3-31-26(29)22-16-21-20(25(28-22)27-19-12-8-5-9-13-19)14-15-23(30-2)24(21)32-17-18-10-6-4-7-11-18/h4-16H,3,17H2,1-2H3,(H,27,28) |
| InChIKey |
ANQRMDPSOGHZOW-UHFFFAOYSA-N |
| Molecular Weight |
428.488 g/mol |
| SMILES |
N(c1nc(C(=O)OCC)cc2c1ccc(OC)c2OCc1ccccc1)c1ccccc1 |
| SPLASH |
splash10-002r-0009700000-e44ff3ef8eb026e3b4bb |
| Source of Spectrum |
J-55-6146-22 |
| Wiley ID |
1380785 |
