種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m1/s1 |
InChIKey | InChI | 1.03 | UIEATEWHFDRYRU-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3 |
SMILES | CACTVS | 3.385 | CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 |