A1J74
Summary
| Name: | 4-methyl-2-[2-(3-prop-2-ynoxyphenoxy)ethanoylamino]benzoic acid |
| Formula: | C19 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 339.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-2-[2-(3-prop-2-ynoxyphenoxy)ethanoylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H17NO5/c1-3-9-24-14-5-4-6-15(11-14)25-12-18(21)20-17-10-13(2)7-8-16(17)19(22)23/h1,4-8,10-11H,9,12H2,2H3,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.06 | BMVPDHLNQPACCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(NC(=O)COc2cccc(OCC#C)c2)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(NC(=O)COc2cccc(OCC#C)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)NC(=O)COc2cccc(c2)OCC#C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)NC(=O)COc2cccc(c2)OCC#C)C(=O)O |
