AH3
Summary
| Name: | 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
| Formula: | C13 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 235.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
| OpenEye OEToolkits | 2.0.6 | 7-ethoxy-6-methoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1c(CCN(C1)C=O)cc(c2OCC)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO3/c1-3-17-13-7-11-8-14(9-15)5-4-10(11)6-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | AHNXCKQTSDSRHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc2CN(CCc2cc1OC)C=O |
| SMILES | CACTVS | 3.385 | CCOc1cc2CN(CCc2cc1OC)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOc1cc2c(cc1OC)CCN(C2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOc1cc2c(cc1OC)CCN(C2)C=O |
