Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | KAFHLONDOVSENM-HNNXBMFYSA-N |