Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H21NO3/c1-14(22-17-10-6-7-11-20(17)25-2)21-18(23)12-16(13-19(21)24)15-8-4-3-5-9-15/h3-11,16,22H,12-13H2,1-2H3/b21-14-/t16-/m0/s1 |
InChIKey | InChI | 1.03 | VBDYUYVCODLQFF-AKGOGDBKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1N[C](C)=[C@@]2C(=O)C[CH](CC2=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | COc1ccccc1N[C](C)=[C]2C(=O)C[CH](CC2=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC |