Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(=O)NC(C(=O)O)Cc2ccc(OCc1ccccc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(O)=O |
SMILES | CACTVS | 3.352 | OC(=O)[CH](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)NC(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H17NO6/c20-16(18(23)24)19-15(17(21)22)10-12-6-8-14(9-7-12)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)(H,21,22)(H,23,24)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | XBNMVIZFMMWMFD-OAHLLOKOSA-N |