Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1 |
InChIKey | InChI | 1.03 | RTKIYFITIVXBLE-LEJRBOCMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |
SMILES | CACTVS | 3.385 | C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C |