Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4cccc(C(=O)N)c4O/C1=C\c3ccc(OCCN2CCOCC2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C22H22N2O5/c23-22(26)18-3-1-2-17-20(25)19(29-21(17)18)14-15-4-6-16(7-5-15)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2,(H2,23,26)/b19-14- |
InChIKey | InChI | 1.03 | HKLACZHOKMVNEF-RGEXLXHISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc2C(=O)\C(Oc12)=C\c3ccc(OCCN4CCOCC4)cc3 |
SMILES | CACTVS | 3.385 | NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(OCCN4CCOCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3)OCCN4CCOCC4)C2=O |