Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(Oc2c(cccc21)c1ccc2OCCOc2c1)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2 |
InChIKey | InChI | 1.03 | PZGGPBWCQBEFPX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(Oc2c1cccc2c3ccc4OCCOc4c3)N5CCOCC5 |
SMILES | CACTVS | 3.385 | O=C1C=C(Oc2c1cccc2c3ccc4OCCOc4c3)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4ccc5c(c4)OCCO5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4ccc5c(c4)OCCO5 |