VRL
Summary
| Name: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
| Formula: | C11 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl (1~{R})-6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1NCCc2cc(O)ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | HWLKUJXDHHWAIQ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1NCCc2cc(O)ccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1NCCc2cc(O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H]1c2ccc(cc2CCN1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1c2ccc(cc2CCN1)O |
