EYM
Summary
| Name: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-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-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ccc1c(N=C(C(=O)N1C)CCC(O)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | JIXBAXULUJSRDR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C(=Nc2ccccc12)CCC(O)=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)C(=Nc2ccccc12)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2N=C(C1=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2N=C(C1=O)CCC(=O)O |
