種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1 |
InChI | InChI | 1.06 | InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29) |
InChIKey | InChI | 1.06 | IFPAECUTANEMNN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)NN(C=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 |
SMILES | CACTVS | 3.385 | COC(=O)NN(C=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1NC(=O)c2cccc(c2)Oc3ccccc3)N(C=O)NC(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1NC(=O)c2cccc(c2)Oc3ccccc3)N(C=O)NC(=O)OC |