Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)OCc3oc2ccccc2c3 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3 |
SMILES | CACTVS | 3.352 | COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3 |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3 |
InChI | InChI | 1.03 | InChI=1S/C21H17NO6/c1-26-15-6-7-17-14(9-15)10-18(22(17)11-20(23)24)21(25)27-12-16-8-13-4-2-3-5-19(13)28-16/h2-10H,11-12H2,1H3,(H,23,24) |
InChIKey | InChI | 1.03 | CKGFVKXFHXZPEW-UHFFFAOYSA-N |