Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(cccc1)CCCCOCCCCCCNCC(=O)c2cc(c(cc2)O)CO |
InChI | InChI | 1.03 | InChI=1S/C25H35NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,26-28H,1-2,6-9,12,15-17,19-20H2 |
InChIKey | InChI | 1.03 | XPCWLGKNIXSVBR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1cc(ccc1O)C(=O)CNCCCCCCOCCCCc2ccccc2 |
SMILES | CACTVS | 3.385 | OCc1cc(ccc1O)C(=O)CNCCCCCCOCCCCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O |