[8-(1H-imidazol-2-ylcarbonyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Systemtic Name: [8-(1H-imidazol-2-ylcarbonyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Openeye Name: [8-(1H-imidazole-2-carbonyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [8-[1H-imidazol-2-yl(oxo)methyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [8-(1H-imidazole-2-carbonyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [8-(1H-imidazole-2-carbonyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)C(=O)C3=NC=CN3

Isomeric SMILES

CCC(C)(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)C(=O)C3=NC=CN3

InChI

InChI=1S/C21H28N2O3/c1-5-21(3,4)20(25)26-15-8-6-7-14-10-9-13(2)16(17(14)15)18(24)19-22-11-12-23-19/h7,9-13,15-17H,5-6,8H2,1-4H3,(H,22,23)