Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2c(C(=O)C(OC)=C1)c(c(n2C)C)COc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | COC1=CC(=O)c2n(C)c(C)c(COc3ccccc3)c2C1=O |
SMILES | CACTVS | 3.341 | COC1=CC(=O)c2n(C)c(C)c(COc3ccccc3)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H17NO4/c1-11-13(10-23-12-7-5-4-6-8-12)16-17(19(11)2)14(20)9-15(22-3)18(16)21/h4-9H,10H2,1-3H3 |
InChIKey | InChI | 1.03 | JRPJCFILHCLEJI-UHFFFAOYSA-N |