(phenylmethyl) (2E)-2-[(2-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (2E)-2-[(2-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxidanylidene-butanoate Openeye Name: benzyl (2E)-2-[(2-chlorophenyl)methylene]-4-(2-cyclohexylethoxy)-3-oxo-butanoate CAS Name: (2E)-2-[(2-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-2-[(2-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxobutanoate Traditional Name: (E)-3-(2-chlorophenyl)-2-[2-(2-cyclohexylethoxy)acetyl]acrylic acid benzyl ester Formula: C26H29ClO4 MolecularWeight: 440.95906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOCC(=O)C(=CC2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCOCC(=O)/C(=C\C2=CC=CC=C2Cl)/C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29ClO4/c27-24-14-8-7-13-22(24)17-23(26(29)31-18-21-11-5-2-6-12-21)25(28)19-30-16-15-20-9-3-1-4-10-20/h2,5-8,11-14,17,20H,1,3-4,9-10,15-16,18-19H2/b23-17+