種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Oc1ccccc1)CN1C=CC(O)=CC1=O |
InChI | InChI | 1.06 | InChI=1S/C18H14ClNO3/c19-16-7-6-13(12-20-9-8-14(21)11-18(20)22)10-17(16)23-15-4-2-1-3-5-15/h1-11,21H,12H2 |
InChIKey | InChI | 1.06 | LXDAHZFNSUJXEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC(=O)N(Cc2ccc(Cl)c(Oc3ccccc3)c2)C=C1 |
SMILES | CACTVS | 3.385 | OC1=CC(=O)N(Cc2ccc(Cl)c(Oc3ccccc3)c2)C=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cc(ccc2Cl)CN3C=CC(=CC3=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cc(ccc2Cl)CN3C=CC(=CC3=O)O |