Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1c(c(NCCNCCO)ccc1N)C(=O)c3c2c(O)ccc3O |
InChI | InChI | 1.03 | InChI=1S/C18H19N3O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-24H,5-8,19H2 |
InChIKey | InChI | 1.03 | NBSLQRRHRCDIHJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
SMILES | CACTVS | 3.385 | Nc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO |