Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(OC)ccc(c2c(CC(O)=O)onc2c1ccc(OC)cc1)cc3 |
InChI | InChI | 1.03 | InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22) |
InChIKey | InChI | 1.03 | DJEIHHYCDCTAAH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O |