種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Clc2cc(OCCCC(=O)O)ccc2NC(=O)NC(=O)c1ccc(Cl)cc1Cl |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCOc1ccc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 |
SMILES | CACTVS | 3.341 | OC(=O)CCCOc1ccc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H15Cl3N2O5/c19-10-3-5-12(13(20)8-10)17(26)23-18(27)22-15-6-4-11(9-14(15)21)28-7-1-2-16(24)25/h3-6,8-9H,1-2,7H2,(H,24,25)(H2,22,23,26,27) |
InChIKey | InChI | 1.03 | FYQVFMLCZJZZEM-UHFFFAOYSA-N |