Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1CCOCC1)CCC(=O)Nc3ccc(Br)cc3C(=O)N2CC(C)CC(C)C2 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1C[C@@H](C)CN(C1)C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N3CCOCC3 |
SMILES | CACTVS | 3.341 | C[CH]1C[CH](C)CN(C1)C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CC(CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C |
InChI | InChI | 1.03 | InChI=1S/C22H30BrN3O4/c1-15-11-16(2)14-26(13-15)22(29)18-12-17(23)3-4-19(18)24-20(27)5-6-21(28)25-7-9-30-10-8-25/h3-4,12,15-16H,5-11,13-14H2,1-2H3,(H,24,27)/t15-,16+ |
InChIKey | InChI | 1.03 | DELARNBPJXTDBD-IYBDPMFKSA-N |