EY7
Summary
| Name: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-methoxyquinoxalin-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(3-methoxyquinoxalin-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CCc2c(nc1c(cccc1)n2)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | CTIQZKAWWUSNIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc2ccccc2nc1CCC(O)=O |
| SMILES | CACTVS | 3.385 | COc1nc2ccccc2nc1CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1c(nc2ccccc2n1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1c(nc2ccccc2n1)CCC(=O)O |
