Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(=O)C1CN(CC1c1ccccc1)C(=O)C |
InChI | InChI | 1.06 | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1 |
InChIKey | InChI | 1.06 | UJHLINFGICYWPQ-NEPJUHHUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@@H]([C@H](C1)c2ccccc2)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)N1C[CH]([CH](C1)c2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1C[C@@H]([C@H](C1)C(=O)O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CC(C(C1)C(=O)O)c2ccccc2 |