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

Systemtic Name: 2-[(E)-4-[2-(4-methylphenyl)-5-propoxy-phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 2-[(E)-4-[5-propoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 2-[(E)-4-[2-(4-methylphenyl)-5-propoxyphenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 2-[(E)-4-[2-(4-methylphenyl)-5-propoxyphenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 2-[(E)-4-[5-propoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C27H24O3 MolecularWeight: 396.47766

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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=CC=C3C(=O)O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)C)/C=C/C#CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H24O3/c1-3-18-30-24-16-17-25(22-14-12-20(2)13-15-22)23(19-24)10-5-4-8-21-9-6-7-11-26(21)27(28)29/h5-7,9-17,19H,3,18H2,1-2H3,(H,28,29)/b10-5+