U1R
Summary
| Name: | 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde |
| Formula: | C17 H12 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 342.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-3-(naphthalen-2-ylmethoxy)pyridine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2 |
| InChIKey | InChI | 1.06 | ISBGRJXSCWCLKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cnc(C=O)c(OCc2ccc3ccccc3c2)c1 |
| SMILES | CACTVS | 3.385 | Brc1cnc(C=O)c(OCc2ccc3ccccc3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)COc3cc(cnc3C=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)COc3cc(cnc3C=O)Br |
