Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(cccc1)C(N(C2=O)CC(N3c4c(C(CC3(C)C)C)cccc4)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | KDDHBJICVBONAX-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14 |
SMILES | CACTVS | 3.385 | C[CH]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C |