Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)C(C)C)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C1=C(OC2CCCCC2)c3cc(Cl)ccc3NC1=O |
SMILES | CACTVS | 3.341 | CC(C)C1=C(OC2CCCCC2)c3cc(Cl)ccc3NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21) |
InChIKey | InChI | 1.03 | OQCFORGSZJSAEL-UHFFFAOYSA-N |