Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4oc(c(c1cc2c(cc1)CCC2(O)c3ccccc3)c4C)C |
InChI | InChI | 1.03 | InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3/t20-/m1/s1 |
InChIKey | InChI | 1.03 | SEOJJNHYXOQNOZ-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(C)c1c2ccc3CC[C@@](O)(c4ccccc4)c3c2 |
SMILES | CACTVS | 3.370 | Cc1onc(C)c1c2ccc3CC[C](O)(c4ccccc4)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(on1)C)c2ccc3c(c2)C(CC3)(c4ccccc4)O |