Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(C(O)=O)ccc(c1)c2coc3ncc(cc23)c4ccccc4)C5CCCC5 |
InChI | InChI | 1.03 | InChI=1S/C25H21NO3/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28) |
InChIKey | InChI | 1.03 | GZZXEPJJXLJJEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1C2CCCC2)c3coc4ncc(cc34)c5ccccc5 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1C2CCCC2)c3coc4ncc(cc34)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O |