Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1 |
SMILES | CACTVS | 3.341 | CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN |
InChI | InChI | 1.03 | InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24) |
InChIKey | InChI | 1.03 | DFXJYVQAAFOZDP-UHFFFAOYSA-N |