PDB CCD ID: | VL8 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H13 Cl2 N O2 |
InChI: | InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1 |
InChIKey: | CWZMYVACWFQQKV-SNVBAGLBSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | CCC(C(=O)NC)Oc1ccc(c(c1)Cl)Cl | CACTVS 3.385 | CC[CH](Oc1ccc(Cl)c(Cl)c1)C(=O)NC | OpenEye OEToolkits 2.0.7 | CC[C@H](C(=O)NC)Oc1ccc(c(c1)Cl)Cl | CACTVS 3.385 | CC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC | ACDLabs 12.01 | Clc1ccc(OC(CC)C(=O)NC)cc1Cl |
|
Name: | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide |
ZINC: | ZINC000096034555 |