| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)C(OCCN1CCCC(C1)C(=O)O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | VDLDUZLDZBVOAS-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(OCCN2CCC[C@@H](C2)C(O)=O)(c3ccc(OC)cc3)c4ccc(OC)cc4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(OCCN2CCC[CH](C2)C(O)=O)(c3ccc(OC)cc3)c4ccc(OC)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCC[C@@H](C4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCCC(C4)C(=O)O |
