| PDB CCD ID: | EAI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H20 O5 |
| InChI: | InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m0/s1 |
| InChIKey: | GCPXSVVUBYVMMX-SUMWQHHRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COC(=O)[C@]1(C)CCC(=O)[C@H](C1)C(=O)OCc2ccccc2 | | CACTVS 3.385 | COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2 | | OpenEye OEToolkits 2.0.7 | CC1(CCC(=O)C(C1)C(=O)OCc2ccccc2)C(=O)OC | | OpenEye OEToolkits 2.0.7 | C[C@]1(CCC(=O)[C@H](C1)C(=O)OCc2ccccc2)C(=O)OC |
|
| Name: | ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
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