Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCC2CN(CCCc1ccccc1)CC(O)C2O |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | OC[CH]1CN(CCCc2ccccc2)C[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCN2CC(C(C(C2)O)O)CO |
InChI | InChI | 1.03 | InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | NKARZGURZMIRMA-RBSFLKMASA-N |