Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1)Cl)C(c3cc2c(c(C(=O)O)ccn2)n3)OCCN4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | AWPYWZMMJZGPOX-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc2cc([nH]c12)[C@H](OCCN3CCCCC3)c4ccccc4Cl |
SMILES | CACTVS | 3.385 | OC(=O)c1ccnc2cc([nH]c12)[CH](OCCN3CCCCC3)c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl |