Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Oc3cc(c(OCC(N2C(=O)c1ccccc1C2=O)C)c(c3)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C21H21NO5/c1-12-9-16(27-15(4)23)10-13(2)19(12)26-11-14(3)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-10,14H,11H2,1-4H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | UICXIWCGDWFHDK-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](COc1c(C)cc(OC(C)=O)cc1C)N2C(=O)c3ccccc3C2=O |
SMILES | CACTVS | 3.385 | C[CH](COc1c(C)cc(OC(C)=O)cc1C)N2C(=O)c3ccccc3C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1OCC(C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C |