Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1 |
InChIKey | InChI | 1.03 | VLZBEPGIJKIYGT-BJKOFHAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H]2[C@@H](C(O)=O)c3ccccc3C(=O)N2c4ccc(cc4)C(C)(C)C |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH]2[CH](C(O)=O)c3ccccc3C(=O)N2c4ccc(cc4)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)N2C(C(c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC |