U7L
Summary
| Name: | 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O4/c1-16-6-9(8-4-2-3-5-11(8)16)13-10(7-17)12(14(18)19)15-20-13/h2-6,17H,7H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.06 | JJKVKHLXSDXTKH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)c3c(c(no3)C(=O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)c3c(c(no3)C(=O)O)CO |
