種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1 |
InChIKey | InChI | 1.06 | GGBHINRNYAAYMX-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1c3cccnc3 |
SMILES | CACTVS | 3.385 | CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=C(Oc2cc(ccc2[C@@H]1c3cccnc3)O)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=C(Oc2cc(ccc2C1c3cccnc3)O)NC(=O)C |