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

Systemtic Name: (phenylmethyl) (2E)-2-[(3-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxidanylidene-butanoate Openeye Name: benzyl (2E)-2-[(3-chlorophenyl)methylene]-4-(2-cyclohexylethoxy)-3-oxo-butanoate CAS Name: (2E)-2-[(3-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-2-[(3-chlorophenyl)methylidene]-4-(2-cyclohexylethoxy)-3-oxobutanoate Traditional Name: (E)-3-(3-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=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClO4/c27-23-13-7-12-22(16-23)17-24(26(29)31-18-21-10-5-2-6-11-21)25(28)19-30-15-14-20-8-3-1-4-9-20/h2,5-7,10-13,16-17,20H,1,3-4,8-9,14-15,18-19H2/b24-17+