Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2 |
InChIKey | InChI | 1.03 | JDODSALIMITEDK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[C@@H](c34)c56 |
SMILES | CACTVS | 3.385 | C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[CH](c34)c56 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8 |