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

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)-4-propoxy-phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[4-propoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-methylphenyl)-4-propoxyphenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-methylphenyl)-4-propoxyphenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[4-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)C=CC#CC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=C/C#CC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)C

InChI

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