VIC
Summary
| Name: | 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline |
| Formula: | C24 H29 N O4 |
| Formal charge: | 0 |
| Formula weight: | 395.491 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3 |
| InChIKey | InChI | 1.06 | ZOWYFYXTIWQBEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC |
| SMILES | CACTVS | 3.385 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1OCC)Cc2c3cc(c(cc3ccn2)OCC)OCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1OCC)Cc2c3cc(c(cc3ccn2)OCC)OCC |
