Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(=O)C(CCC(=O)N1CCCCC1)=C(c3c(O2)cc4c(c3)c(c(o4)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C22H25NO4/c1-13-15(3)26-19-12-20-18(11-17(13)19)14(2)16(22(25)27-20)7-8-21(24)23-9-5-4-6-10-23/h11-12H,4-10H2,1-3H3 |
InChIKey | InChI | 1.03 | SHGFQSFSJDFZLK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc2cc3OC(=O)C(=C(C)c3cc2c1C)CCC(=O)N4CCCCC4 |
SMILES | CACTVS | 3.385 | Cc1oc2cc3OC(=O)C(=C(C)c3cc2c1C)CCC(=O)N4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C |
SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C |