Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC |
InChI | InChI | 1.06 | InChI=1S/C14H15N3O4/c1-15-12(18)8-17-11(6-7-13(19)20)16-10-5-3-2-4-9(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20) |
InChIKey | InChI | 1.06 | DEMTVGMQPPAESO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN1C(=O)c2ccccc2N=C1CCC(O)=O |
SMILES | CACTVS | 3.385 | CNC(=O)CN1C(=O)c2ccccc2N=C1CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O |