OZG
[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
Created: | 2019-07-22 |
Last modified: | 2019-12-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 0 |
Bond Count | 38 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid |
Systematic Name (OpenEye OEToolkits) | 2-[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]ethanoic acid |
Formula | C17 H14 O5 |
Molecular Weight | 298.29 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3 |
SMILES | CACTVS | 3.385 | COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O |
Canonical SMILES | CACTVS | 3.385 | COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19) |
InChIKey | InChI | 1.03 | UOSYUXUYPKFRGA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 145714266 |