WBQ
Summary
| Name: | 6-(2-methoxyanilino)-6-oxohexanoic acid |
| Formula: | C13 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 251.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2-methoxyanilino)-6-oxohexanoic acid |
| OpenEye OEToolkits | 2.0.7 | 6-[(2-methoxyphenyl)amino]-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccccc1NC(=O)CCCCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.06 | HVJNOFLVHNEZLB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1NC(=O)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1NC(=O)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1NC(=O)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1NC(=O)CCCCC(=O)O |
