T9W
2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate
Created: | 2020-12-20 |
Last modified: | 2022-01-12 |
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Chemical Details | |
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Formal Charge | -1 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate |
Synonyms | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid; 5190948 |
Systematic Name (OpenEye OEToolkits) | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate |
Formula | C12 H10 N O5 |
Molecular Weight | 248.211 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] |
Canonical SMILES | CACTVS | 3.385 | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1 |
InChIKey | InChI | 1.03 | DVXARNQLROBEQU-UHFFFAOYSA-M |
Related Resource References
Resource Name | Reference |
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PubChem | 5190948 |