Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(C(N)Cc1ccccc1)C(N)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc2ccccc2 |
SMILES | CACTVS | 3.341 | N[CH](Cc1ccccc1)[CH](O)[CH](N)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(C(Cc2ccccc2)N)O)N |
InChI | InChI | 1.03 | InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | GZBLEJZADHZBBZ-HOTGVXAUSA-N |