Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)c5oc(c1c3c(nn1)c2ccc(cc2C3)CNC4CCC(O)CC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C23H25N3O4/c1-29-23(28)20-9-8-19(30-20)22-18-11-14-10-13(2-7-17(14)21(18)25-26-22)12-24-15-3-5-16(27)6-4-15/h2,7-10,15-16,24,27H,3-6,11-12H2,1H3,(H,25,26)/t15-,16+ |
InChIKey | InChI | 1.03 | MCIHIBVPUQANQG-IYBDPMFKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1oc(cc1)c2[nH]nc3c2Cc4cc(CN[C@@H]5CC[C@H](O)CC5)ccc34 |
SMILES | CACTVS | 3.370 | COC(=O)c1oc(cc1)c2[nH]nc3c2Cc4cc(CN[CH]5CC[CH](O)CC5)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O |