Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H21NO3/c1-12(2)15-10-7-11-16-17(15)21-18(20(22)23)19(16)24-13(3)14-8-5-4-6-9-14/h4-13,21H,1-3H3,(H,22,23)/t13-/m0/s1 |
InChIKey | InChI | 1.06 | RUGCETAGWUDNRQ-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cccc2c1[nH]c(C(O)=O)c2O[C@@H](C)c3ccccc3 |
SMILES | CACTVS | 3.385 | CC(C)c1cccc2c1[nH]c(C(O)=O)c2O[CH](C)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)Oc2c3cccc(c3[nH]c2C(=O)O)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cccc2c1[nH]c(c2OC(C)c3ccccc3)C(=O)O |