Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H19NO4/c1-13(21)15-9-6-10-16(12-15)18(22)20-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12,17H,11H2,1-2H3,(H,20,22)/t17-/m0/s1 |
InChIKey | InChI | 1.06 | KLOCVZYWJLNHFL-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O |
SMILES | CACTVS | 3.385 | COC(=O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(=O)OC |