methyl 4-[(E)-4-[2-(4-methylphenyl)-5-propoxy-phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)-5-propoxy-phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[5-propoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-methylphenyl)-5-propoxyphenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-methylphenyl)-5-propoxyphenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[5-propoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C28H26O3 MolecularWeight: 410.50424

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)C)C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)C)/C=C/C#CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H26O3/c1-4-19-31-26-17-18-27(23-13-9-21(2)10-14-23)25(20-26)8-6-5-7-22-11-15-24(16-12-22)28(29)30-3/h6,8-18,20H,4,19H2,1-3H3/b8-6+