Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 |
InChIKey | InChI | 1.06 | DDNCQMVWWZOMLN-IRLDBZIGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c5ccccc5n1c4[C@H]23 |
SMILES | CACTVS | 3.385 | CCOC(=O)C1=C[C]2(CC)CCCN3CCc4c5ccccc5n1c4[CH]23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3 |