3R5
Summary
| Name: | 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde |
| Formula: | C14 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 243.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde |
| OpenEye OEToolkits | 1.7.0 | 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc2c(OCc1cccnc1)ccc(OC)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(OCc2cccnc2)c(C=O)c1 |
| SMILES | CACTVS | 3.370 | COc1ccc(OCc2cccnc2)c(C=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(c(c1)C=O)OCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(c(c1)C=O)OCc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO3/c1-17-13-4-5-14(12(7-13)9-16)18-10-11-3-2-6-15-8-11/h2-9H,10H2,1H3 |
| InChIKey | InChI | 1.03 | GXQNKVDAAINMNE-UHFFFAOYSA-N |
