Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c2)CCN3C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
SMILES | CACTVS | 3.341 | COc1ccc(C[CH]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)O)OC)O)OC |
InChI | InChI | 1.03 | InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | BHLYRWXGMIUIHG-HNNXBMFYSA-N |