Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccnc(c1)C(N2CC(C2)c3cc(OC)c(cc3)OCc5ccc(C4CC4)cc5)=O)COCC(O)CO |
InChI | InChI | 1.03 | InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1 |
InChIKey | InChI | 1.03 | LTTJGQBDGMNWHJ-SANMLTNESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(COC[C@@H](O)CO)ccn5 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(COC[CH](O)CO)ccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COCC(CO)O |