A1JS5
Summary
| Name: | 2-[4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)phenoxy]ethanoic acid |
| Formula: | C15 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 273.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)phenoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15NO4/c1-10-7-12(8-17)11(2)16(10)13-3-5-14(6-4-13)20-9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.06 | ZUJFOJPVRRGGKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C=O)c(C)n1c2ccc(OCC(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C=O)c(C)n1c2ccc(OCC(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1c2ccc(cc2)OCC(=O)O)C)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1c2ccc(cc2)OCC(=O)O)C)C=O |
