Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C22H28N4O5/c1-22(2,3)31-21(29)24-17-7-4-6-16(14-17)15-23-20(28)26-11-9-25(10-12-26)19(27)18-8-5-13-30-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)(H,24,29) |
InChIKey | InChI | 1.06 | BHKADWPHBGQYGQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCN(CC2)C(=O)c3occc3)c1 |
SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCN(CC2)C(=O)c3occc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)Nc1cccc(c1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)Nc1cccc(c1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3 |