A1CDN
Summary
| Name: | 4-methoxy-2,3-dihydro-1H-isoindole |
| Formula: | C9 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 149.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methoxy-2,3-dihydro-1H-isoindole |
| OpenEye OEToolkits | 3.1.0.0 | 4-methoxy-2,3-dihydro-1~{H}-isoindole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1cccc2CNCc21 |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-4,10H,5-6H2,1H3 |
| InChIKey | InChI | 1.06 | DCDSDKAYJZLMEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2CNCc12 |
| SMILES | CACTVS | 3.385 | COc1cccc2CNCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cccc2c1CNC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cccc2c1CNC2 |
