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 |