Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | O=C(OC1C[C@H]2CC[C@@H](C1)N2CCc3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.352 | O=C(OC1C[CH]2CC[CH](C1)N2CCc3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CCN2C3CCC2CC(C3)OC(=O)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+ |
InChIKey | InChI | 1.03 | ZVQCTZVWEBSXKK-AERCQKQUSA-N |