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 |