Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H16N2O5/c1-26-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(22)18(20-9-14)19(25)21-10-17(23)24/h2-9,22H,10H2,1H3,(H,21,25)(H,23,24) |
InChIKey | InChI | 1.03 | PJNFXXUNCQIGBZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O |
SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O |