ethyl (3E)-2-oxidanylidene-3-[(4-propan-2-ylphenyl)methylidene]-1-prop-2-enyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (3E)-2-oxidanylidene-3-[(4-propan-2-ylphenyl)methylidene]-1-prop-2-enyl-cyclohexane-1-carboxylate Openeye Name: ethyl (3E)-1-allyl-3-[(4-isopropylphenyl)methylene]-2-oxo-cyclohexanecarboxylate CAS Name: (3E)-2-oxo-3-[(4-propan-2-ylphenyl)methylidene]-1-prop-2-enyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3E)-2-oxo-3-[(4-propan-2-ylphenyl)methylidene]-1-prop-2-enylcyclohexane-1-carboxylate Traditional Name: (3E)-1-allyl-3-(4-isopropylbenzylidene)-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC(=CC2=CC=C(C=C2)C(C)C)C1=O)CC=C

Isomeric SMILES

CCOC(=O)C1(CCC/C(=C\C2=CC=C(C=C2)C(C)C)/C1=O)CC=C

InChI

InChI=1S/C22H28O3/c1-5-13-22(21(24)25-6-2)14-7-8-19(20(22)23)15-17-9-11-18(12-10-17)16(3)4/h5,9-12,15-16H,1,6-8,13-14H2,2-4H3/b19-15+