Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1CC1)c5cccc4cc(Oc2c3cc(OC)c(OC)cc3ncc2)ccc45 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC5CC5)c3)c2cc1OC |
SMILES | CACTVS | 3.341 | COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC5CC5)c3)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5 |
InChI | InChI | 1.03 | InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28) |
InChIKey | InChI | 1.03 | ZATGFXTWDKIEKC-UHFFFAOYSA-N |