KRG
Summary
| Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid |
| Formula: | C14 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 261.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid |
| OpenEye OEToolkits | 1.7.2 | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(cc(OCC)c1)c2c(onc2C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO4/c1-4-18-12-6-10(5-11(7-12)14(16)17)13-8(2)15-19-9(13)3/h5-7H,4H2,1-3H3,(H,16,17) |
| InChIKey | InChI | 1.03 | GAMMHRRBGXCHRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOc1cc(cc(c1)c2c(C)onc2C)C(O)=O |
| SMILES | CACTVS | 3.370 | CCOc1cc(cc(c1)c2c(C)onc2C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C |
