Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O |
SMILES | CACTVS | 3.341 | O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O |
InChI | InChI | 1.03 | InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | SUETUOGYOWOLNJ-NSHDSACASA-N |