種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O |
InChI | InChI | 1.03 | InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23) |
InChIKey | InChI | 1.03 | VXZFLUMBYFLMPU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)c(O)c1 |
SMILES | CACTVS | 3.385 | Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)c(O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O |