Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19N3O3/c1-13(14-8-10-16(11-9-14)20(25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,25,26)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | ONVWOXXFKHGWTI-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3 |