Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)c2oc1cccc(OCC(O)CNC(C)C)c1c2C |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C |
SMILES | CACTVS | 3.370 | CCOC(=O)c1oc2cccc(OC[CH](O)CNC(C)C)c2c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)c1c(c2c(o1)cccc2OCC(CNC(C)C)O)C |
InChI | InChI | 1.03 | InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | QVJVMNUTCGTBCH-ZDUSSCGKSA-N |