tert-butyl (1S,2E)-5-oxidanylidene-2-(phenylmethylidene)cyclohexane-1-carboxylate

Systemtic Name: tert-butyl (1S,2E)-5-oxidanylidene-2-(phenylmethylidene)cyclohexane-1-carboxylate Openeye Name: tert-butyl (1S,2E)-2-benzylidene-5-oxo-cyclohexanecarboxylate CAS Name: (1S,2E)-5-oxo-2-(phenylmethylene)-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2E)-2-benzylidene-5-oxocyclohexane-1-carboxylate Traditional Name: (1S,2E)-2-benzal-5-keto-cyclohexanecarboxylic acid tert-butyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(=O)CCC1=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]\1CC(=O)CC/C1=C\C2=CC=CC=C2

InChI

InChI=1S/C18H22O3/c1-18(2,3)21-17(20)16-12-15(19)10-9-14(16)11-13-7-5-4-6-8-13/h4-8,11,16H,9-10,12H2,1-3H3/b14-11+/t16-/m0/s1