Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)=O)cccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3 |
InChIKey | InChI | 1.03 | NXETYAFZIDRMKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13 |
SMILES | CACTVS | 3.385 | CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O |