Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cc(cc(OC)c1Br)CNNC(=O)C(OCC)c1ccc(cc1)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C23H30BrN3O5/c1-4-32-22(17-5-7-18(8-6-17)27-9-11-31-12-10-27)23(28)26-25-15-16-13-19(29-2)21(24)20(14-16)30-3/h5-8,13-14,22,25H,4,9-12,15H2,1-3H3,(H,26,28)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | JSEXKAZDFLBFCG-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCO[C@H](C(=O)NNCc1cc(OC)c(Br)c(OC)c1)c2ccc(cc2)N3CCOCC3 |
SMILES | CACTVS | 3.385 | CCO[CH](C(=O)NNCc1cc(OC)c(Br)c(OC)c1)c2ccc(cc2)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCO[C@@H](c1ccc(cc1)N2CCOCC2)C(=O)NNCc3cc(c(c(c3)OC)Br)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(c1ccc(cc1)N2CCOCC2)C(=O)NNCc3cc(c(c(c3)OC)Br)OC |