Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C3CCN(CCOc2cc1ccnc1cc2)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1 |
SMILES | CACTVS | 3.341 | OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20) |
InChIKey | InChI | 1.03 | WEUOMMCSMCVWHD-UHFFFAOYSA-N |