Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCN(C)CCCOc1ccc(cc1)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O |
SMILES | CACTVS | 3.341 | CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | HSXNVULMYZGNGF-UHFFFAOYSA-N |