Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(ccc1)NC(c2c(c(C(C)=O)c(C)n2)CC)=O)OCC(N)=O |
InChI | InChI | 1.03 | InChI=1S/C18H21N3O4/c1-4-14-16(11(3)22)10(2)20-17(14)18(24)21-12-6-5-7-13(8-12)25-9-15(19)23/h5-8,20H,4,9H2,1-3H3,(H2,19,23)(H,21,24) |
InChIKey | InChI | 1.03 | CSXFLOZZMPSMKL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(OCC(N)=O)c2 |
SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(OCC(N)=O)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C |