種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O |
InChI | InChI | 1.03 | InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22) |
InChIKey | InChI | 1.03 | ZVCRTIXCBWXHPP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O |