Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | NNJPGOLRFBJNIW-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13 |
SMILES | CACTVS | 3.385 | CN[CH]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CNC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |