Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OC |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O5/c1-25-14-9-11-5-3-2-4-10(11)8-12(14)6-7-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,19,20,21,24) |
InChIKey | InChI | 1.03 | XMQLZAPUHKOJFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O |
SMILES | CACTVS | 3.370 | COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O |