| PDB CCD ID: | EI0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H26 O5 |
| InChI: | InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20-/m1/s1 |
| InChIKey: | WAKMFGLCJLDCIS-FOIQADDNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)(C)OC(=O)[C@@H]1C[C@@](CCC1=O)(Cc2ccccc2)C(=O)OC | | OpenEye OEToolkits 2.0.7 | CC(C)(C)OC(=O)C1CC(CCC1=O)(Cc2ccccc2)C(=O)OC | | CACTVS 3.385 | COC(=O)[C]1(CCC(=O)[CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2 | | CACTVS 3.385 | COC(=O)[C@]1(CCC(=O)[C@@H](C1)C(=O)OC(C)(C)C)Cc2ccccc2 | | ACDLabs 12.01 | CC(C)(C)OC(=O)C1CC(Cc2ccccc2)(CCC1=O)C(=O)OC |
|
| Name: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate |
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