Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | XGUUYQHDALENIF-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(N)=O |
SMILES | CACTVS | 3.385 | CCN1C(=O)C[CH](C1=O)c2cccc(c2)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N |