Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(C(N)Cc1ccccc1)CC(N)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)Cc2ccccc2 |
SMILES | CACTVS | 3.370 | N[CH](C[CH](O)[CH](N)Cc1ccccc1)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)N |
InChI | InChI | 1.03 | InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1 |
InChIKey | InChI | 1.03 | BIZHLXOOWGXFLC-BZSNNMDCSA-N |