Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c(cc2CCN(C(c1ccc(cc1)[C@H]=[C@H]C(=O)O)(C)c2c3)c4ccc(cc4)C(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1 |
InChIKey | InChI | 1.03 | HKXVKUOGCLJVEZ-AJVPWASQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(cc1)N2CCc3cc(O)ccc3[C@@]2(C)c4ccc(/C=C/C(O)=O)cc4 |
SMILES | CACTVS | 3.385 | CC(C)c1ccc(cc1)N2CCc3cc(O)ccc3[C]2(C)c4ccc(C=CC(O)=O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccc(cc1)N2CCc3cc(ccc3C2(C)c4ccc(cc4)C=CC(=O)O)O |