[(4E)-4-[[2-(hydroxymethyl)phenyl]methylidene]-10-methoxy-1-phenyl-deca-1,5-diyn-3-yl] ethanoate

Systemtic Name: [(4E)-4-[[2-(hydroxymethyl)phenyl]methylidene]-10-methoxy-1-phenyl-deca-1,5-diyn-3-yl] ethanoate Openeye Name: [(2E)-2-[[2-(hydroxymethyl)phenyl]methylene]-8-methoxy-1-(2-phenylethynyl)oct-3-ynyl] acetate CAS Name: acetic acid [(4E)-4-[[2-(hydroxymethyl)phenyl]methylidene]-10-methoxy-1-phenyldeca-1,5-diyn-3-yl] ester IUPAC Name: [(4E)-4-[[2-(hydroxymethyl)phenyl]methylidene]-10-methoxy-1-phenyldeca-1,5-diyn-3-yl] acetate Traditional Name: acetic acid [(2E)-8-methoxy-2-(2-methylolbenzylidene)-1-(2-phenylethynyl)oct-3-ynyl] ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC1=CC=CC=C1)C(=CC2=CC=CC=C2CO)C#CCCCCOC

Isomeric SMILES

CC(=O)OC(C#CC1=CC=CC=C1)/C(=C/C2=CC=CC=C2CO)/C#CCCCCOC

InChI

InChI=1S/C27H28O4/c1-22(29)31-27(18-17-23-12-6-5-7-13-23)25(15-8-3-4-11-19-30-2)20-24-14-9-10-16-26(24)21-28/h5-7,9-10,12-14,16,20,27-28H,3-4,11,19,21H2,1-2H3/b25-20+