[4-[2-(4-butylphenyl)ethynyl]phenyl] prop-2-enoate

Systemtic Name: [4-[2-(4-butylphenyl)ethynyl]phenyl] prop-2-enoate Openeye Name: [4-[2-(4-butylphenyl)ethynyl]phenyl] prop-2-enoate CAS Name: 2-propenoic acid [4-[2-(4-butylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-butylphenyl)ethynyl]phenyl] prop-2-enoate Traditional Name: acrylic acid [4-[2-(4-butylphenyl)ethynyl]phenyl] ester Formula: C21H20O2 MolecularWeight: 304.3823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC(=O)C=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC(=O)C=C

InChI

InChI=1S/C21H20O2/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)23-21(22)4-2/h4,7-10,13-16H,2-3,5-6H2,1H3