Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c31c(CCNCC1c2ccccc2)c(Cl)c(c(c3)O)O |
InChI | InChI | 1.03 | InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2/t13-/m1/s1 |
InChIKey | InChI | 1.03 | GHWJEDJMOVUXEC-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc2[C@H](CNCCc2c(Cl)c1O)c3ccccc3 |
SMILES | CACTVS | 3.385 | Oc1cc2[CH](CNCCc2c(Cl)c1O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CNCCc3c2cc(c(c3Cl)O)O |