Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1 |
InChIKey | InChI | 1.03 | GCIZCIZLSHSWDS-HZPDHXFCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1C[C@H](CN1)OC(=O)c2ccc(cc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O |