Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c4ccc(n1c(C(O)=O)cc3c1ccc(c2ccc(cc2)C(C)(C)C)c3)cc4)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C28H29NO3/c1-18(2)32-24-13-11-23(12-14-24)29-25-15-8-20(16-21(25)17-26(29)27(30)31)19-6-9-22(10-7-19)28(3,4)5/h6-18H,1-5H3,(H,30,31) |
InChIKey | InChI | 1.03 | GUMCVDVWBMLUSQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(cc1)n2c(cc3cc(ccc23)c4ccc(cc4)C(C)(C)C)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(cc1)n2c(cc3cc(ccc23)c4ccc(cc4)C(C)(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C |