TUC
Summary
| Name: | (isoquinolin-5-yloxy)acetic acid |
| Formula: | C11 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (isoquinolin-5-yloxy)acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-isoquinolin-5-yloxyethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)COc1cccc2c1ccnc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)COc1cccc2cnccc12 |
| SMILES | CACTVS | 3.370 | OC(=O)COc1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2cnccc2c(c1)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2cnccc2c(c1)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO3/c13-11(14)7-15-10-3-1-2-8-6-12-5-4-9(8)10/h1-6H,7H2,(H,13,14) |
| InChIKey | InChI | 1.03 | LBTFJCUQNGDFML-UHFFFAOYSA-N |
