Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3 |
InChI | InChI | 1.03 | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | NNYBQONXHNTVIJ-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc2c3CCO[C@@](CC)(CC(O)=O)c3[nH]c12 |
SMILES | CACTVS | 3.385 | CCc1cccc2c3CCO[C](CC)(CC(O)=O)c3[nH]c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O |