Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2c(Nc1c(cccc1C(=O)O)C)cc(cc2)C |
InChI | InChI | 1.03 | InChI=1S/C16H15NO4/c1-9-6-7-11(15(18)19)13(8-9)17-14-10(2)4-3-5-12(14)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21) |
InChIKey | InChI | 1.03 | AQDGEUMMMQRBPR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(C(O)=O)c(Nc2c(C)cccc2C(O)=O)c1 |
SMILES | CACTVS | 3.370 | Cc1ccc(C(O)=O)c(Nc2c(C)cccc2C(O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O |