Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C@@]23C)O)c1C(=O)NCc4cccc5ccccc45 |
SMILES | CACTVS | 3.352 | COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cccc5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O |
InChI | InChI | 1.03 | InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,31-32H,13H2,1-3H3,(H,29,34)/t28-/m1/s1 |
InChIKey | InChI | 1.03 | GHOGOLYMMHFNIT-MUUNZHRXSA-N |