Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(c2c(c1)C(N(C2)C3C(NC(CC3)=O)=O)=O)OCc5ccc(CN4CCOCC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1 |
InChIKey | InChI | 1.03 | IXZOHGPZAQLIBH-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1 |
SMILES | CACTVS | 3.385 | O=C1CC[CH](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)C5CCC(=O)NC5=O |