Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3 |
InChI | InChI | 1.03 | InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20) |
InChIKey | InChI | 1.03 | MFCXHNGDMBSNNX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O |