Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ccc(c(O)c1)C(=O)OC1c2ccccc2CC1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C17H15NO5/c18-10-5-6-12(14(19)8-10)17(22)23-15-11-4-2-1-3-9(11)7-13(15)16(20)21/h1-6,8,13,15,19H,7,18H2,(H,20,21)/t13-,15-/m0/s1 |
InChIKey | InChI | 1.06 | DWGIEIVAFVJIQU-ZFWWWQNUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(c(O)c1)C(=O)O[C@@H]2[C@H](Cc3ccccc23)C(O)=O |
SMILES | CACTVS | 3.385 | Nc1ccc(c(O)c1)C(=O)O[CH]2[CH](Cc3ccccc23)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@@H]([C@H]2OC(=O)c3ccc(cc3O)N)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC(C2OC(=O)c3ccc(cc3O)N)C(=O)O |