Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C(=C(N(C(=O)N1)COCC)Cc2ccccc2)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C |
SMILES | CACTVS | 3.341 | CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21) |
InChIKey | InChI | 1.03 | MLILORUFDVLTSP-UHFFFAOYSA-N |