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

Systemtic Name: 4-[(E)-4-[3-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[3-methoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[3-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[3-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[3-methoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C25H20O3 MolecularWeight: 368.4245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC=C2OC)C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC=C2OC)/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H20O3/c1-18-10-14-21(15-11-18)24-20(8-5-9-23(24)28-2)7-4-3-6-19-12-16-22(17-13-19)25(26)27/h4-5,7-17H,1-2H3,(H,26,27)/b7-4+