RUE
Summary
| Name: | 3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid |
| Synonyms: | 3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid MWT-S-270; CHEMBL4216076 |
| Formula: | C18 H18 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 358.345 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18N2O6/c21-16(19-26)11-20(9-12-3-1-5-14(7-12)17(22)23)10-13-4-2-6-15(8-13)18(24)25/h1-8,26H,9-11H2,(H,19,21)(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | KHSBLMDTVROJFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO |
