Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(Cc1ccccc1)C(N)C(O)C(N)Cc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C18H24N2O2/c19-15(11-13-7-3-1-4-8-13)18(22)17(20)16(21)12-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12,19-20H2/t15-,16+,17+,18+/m0/s1 |
InChIKey | InChI | 1.03 | FMWGQMVNSHZGIZ-BSDSXHPESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](N)[C@H](O)Cc2ccccc2 |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)[CH](N)[CH](O)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(C(C(C(Cc2ccccc2)O)N)O)N |