Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | CACTVS | 3.385 | C[CH](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OCC(C)c3ccccc3)CN4CCOCC4 |
Canonical SMILES | CACTVS | 3.385 | C[C@H](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C24H27NO4/c1-17(19-6-4-3-5-7-19)16-28-20-8-9-21-18(2)22(24(26)29-23(21)14-20)15-25-10-12-27-13-11-25/h3-9,14,17H,10-13,15-16H2,1-2H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | NTZXVFVJHQUFMZ-QGZVFWFLSA-N |