Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCCCCCCCC)CC(CC(NC1C(OCC1)=O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | YQFJJDSGBAAUPW-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=O |