| PDB CCD ID: | B89 |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C17 H24 Cl N O4 |
| InChI: | InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1 |
| InChIKey: | IOYNQIMAUDJVEI-FGWLPLFYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 11.02 | Cl[C@H]=CCO\N=C(\C=2C(=O)CC(C1CCOCC1)CC=2O)CC | | CACTVS 3.352 | CCC(=NOCC=CCl)C1=C(O)C[CH](CC1=O)C2CCOCC2 | | OpenEye OEToolkits 1.7.0 | CCC(=NOCC=CCl)C1=C(CC(CC1=O)C2CCOCC2)O | | OpenEye OEToolkits 1.7.0 | CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O | | CACTVS 3.352 | CC\C(=N/OC/C=C/Cl)C1=C(O)C[C@@H](CC1=O)C2CCOCC2 |
|
| Name: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one;
tepraloxydim |
| ZINC: | ZINC000013539408 |
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