種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-8-12(18(23)24)4-5-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24) |
InChIKey | InChI | 1.06 | OOJDKYAMUUAETB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)C(=O)O |