Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CN2C(=O)c1ccc(cc1C2=O)N(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ccc2C(=O)N(C[C@H](N)C(O)=O)C(=O)c2c1 |
SMILES | CACTVS | 3.341 | CN(C)c1ccc2C(=O)N(C[CH](N)C(O)=O)C(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C13H15N3O4/c1-15(2)7-3-4-8-9(5-7)12(18)16(11(8)17)6-10(14)13(19)20/h3-5,10H,6,14H2,1-2H3,(H,19,20)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | NLRIIORQBUXJMD-JTQLQIEISA-N |