Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C28H35N3O5/c1-4-36-27-17-23-19(15-26(27)34-3)9-10-31(28(32)30-11-13-35-14-12-30)25(23)8-5-20-18-29-24-7-6-21(33-2)16-22(20)24/h6-7,15-18,25,29H,4-5,8-14H2,1-3H3/t25-/m0/s1 |
InChIKey | InChI | 1.06 | LDKWYCXARVLWDX-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc2[C@H](CCc3c[nH]c4ccc(OC)cc34)N(CCc2cc1OC)C(=O)N5CCOCC5 |
SMILES | CACTVS | 3.385 | CCOc1cc2[CH](CCc3c[nH]c4ccc(OC)cc34)N(CCc2cc1OC)C(=O)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc2c(cc1OC)CCN([C@H]2CCc3c[nH]c4c3cc(cc4)OC)C(=O)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc2c(cc1OC)CCN(C2CCc3c[nH]c4c3cc(cc4)OC)C(=O)N5CCOCC5 |