Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCc2c1ccccc1ccc2)c5oc4cccc(OC3CCNCC3)c4c5C |
InChI | InChI | 1.03 | InChI=1S/C26H26N2O3/c1-17-24-22(30-20-12-14-27-15-13-20)10-5-11-23(24)31-25(17)26(29)28-16-19-8-4-7-18-6-2-3-9-21(18)19/h2-11,20,27H,12-16H2,1H3,(H,28,29) |
InChIKey | InChI | 1.03 | JDZKIYVLMLQBQF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)NCc4cccc5ccccc45 |
SMILES | CACTVS | 3.385 | Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)NCc4cccc5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5 |