Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H22N2O2/c24-15-22-13-11-18(12-14-22)23-20(17-9-5-2-6-10-17)19(21(23)25)16-7-3-1-4-8-16/h1-10,15,18-20H,11-14H2/t19-,20+/m1/s1 |
InChIKey | InChI | 1.06 | DIWMCVCOMCANGI-UXHICEINSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=CN1CCC(CC1)N2[C@H]([C@@H](C2=O)c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=CN1CCC(CC1)N2[CH]([CH](C2=O)c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2[C@H](N(C2=O)C3CCN(CC3)C=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2C(N(C2=O)C3CCN(CC3)C=O)c4ccccc4 |