Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2 |
SMILES_CANONICAL | CACTVS | 3.352 | CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC |
SMILES | CACTVS | 3.352 | CCCCOc1cc(C[CH]2CNC(=O)N2)ccc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCOc1cc(ccc1OC)CC2CNC(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | PDMUULPVBYQBBK-GFCCVEGCSA-N |