Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccccc1C(=O)OCc2ccc(cc2)C5C(CNCC5OCc4cc3ccccc3cc4)COC |
SMILES_CANONICAL | CACTVS | 3.341 | COC[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c4ccc(COC(=O)c5ccccc5Cl)cc4 |
SMILES | CACTVS | 3.341 | COC[CH]1CNC[CH](OCc2ccc3ccccc3c2)[CH]1c4ccc(COC(=O)c5ccccc5Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COCC1CNCC(C1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4 |
InChI | InChI | 1.03 | InChI=1S/C32H32ClNO4/c1-36-21-27-17-34-18-30(37-20-23-12-13-24-6-2-3-7-26(24)16-23)31(27)25-14-10-22(11-15-25)19-38-32(35)28-8-4-5-9-29(28)33/h2-16,27,30-31,34H,17-21H2,1H3/t27-,30-,31-/m0/s1 |
InChIKey | InChI | 1.03 | MDNCEOVGVRNOIK-NAYUSWPISA-N |