Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(Oc1ccc(cc1)CCN(c2nc3ccccc3o2)CCCCCCC)(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c2oc3ccccc3n2 |
SMILES | CACTVS | 3.370 | CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c2oc3ccccc3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2 |
InChI | InChI | 1.03 | InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30) |
InChIKey | InChI | 1.03 | MMVUCPZZXMPIPE-UHFFFAOYSA-N |