Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(Cc2cc1ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)CCNC5 |
SMILES_CANONICAL | CACTVS | 3.341 | C(COCc1ccccc1)COc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4 |
SMILES | CACTVS | 3.341 | C(COCc1ccccc1)COc2ccc(cc2)[CH]3CCNC[CH]3OCc4ccc5ccccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COCCCOc2ccc(cc2)C3CCNCC3OCc4ccc5ccccc5c4 |
InChI | InChI | 1.03 | InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1 |
InChIKey | InChI | 1.03 | SBQHXMHGXWOGFR-ZWXJPIIXSA-N |