Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@H]1CCc2cccc3C[C@H](N(C1=O)c23)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH]1CCc2cccc3C[CH](N(C1=O)c23)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c3c(c1)CC(N3C(=O)C(CC2)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | KCYCGNHQFGTGSS-UWVGGRQHSA-N |