Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1CC4C2C(CCC1C2)N(Cc3ccccc3)C(=O)O4 |
InChI | InChI | 1.03 | InChI=1S/C16H20N2O2/c19-16-18(10-11-4-2-1-3-5-11)14-7-6-12-8-13(14)15(20-16)9-17-12/h1-5,12-15,17H,6-10H2/t12-,13-,14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | DCWMNVDOEGJMPZ-TUVASFSCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1O[C@H]2CN[C@@H]3CC[C@H]([C@H]2C3)N1Cc4ccccc4 |
SMILES | CACTVS | 3.385 | O=C1O[CH]2CN[CH]3CC[CH]([CH]2C3)N1Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2C3CCC4CC3C(CN4)OC2=O |