Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2ncc1cc(ccc1c2)c5ccc(OCc4c(onc4c3c(cccc3C)C)C(C)C)cc5 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1onc(c1COc2ccc(cc2)c3ccc4cc(ncc4c3)C(O)=O)c5c(C)cccc5C |
SMILES | CACTVS | 3.370 | CC(C)c1onc(c1COc2ccc(cc2)c3ccc4cc(ncc4c3)C(O)=O)c5c(C)cccc5C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C |
InChI | InChI | 1.03 | InChI=1S/C31H28N2O4/c1-18(2)30-26(29(33-37-30)28-19(3)6-5-7-20(28)4)17-36-25-12-10-21(11-13-25)22-8-9-23-15-27(31(34)35)32-16-24(23)14-22/h5-16,18H,17H2,1-4H3,(H,34,35) |
InChIKey | InChI | 1.03 | DWPOYLMUSLXOEM-UHFFFAOYSA-N |