Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C3N(C(=O)C2N(C(=O)OCc1ccccc1)CCC2)CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C19H24N2O5/c22-17(20-11-5-4-9-16(20)18(23)24)15-10-6-12-21(15)19(25)26-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,23,24) |
InChIKey | InChI | 1.03 | ZSUDGOXHRALIOT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CCCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 |
SMILES | CACTVS | 3.370 | OC(=O)[CH]1CCCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCCC[C@H]3C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCCC3C(=O)O |