PDB CCD ID: | V4H |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H15 N O3 |
InChI: | InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1 |
InChIKey: | PPFSSDOIHGGARW-GFCCVEGCSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCCC(C2)O | CACTVS 3.385 | O[C@@H]1CCCN(C1)C(=O)c2ccc(C=O)cc2 | CACTVS 3.385 | O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2 | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O |
|
Name: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde |