1-phenylethyl 4-[2-(4-butylphenyl)ethynyl]benzoate

Systemtic Name: 1-phenylethyl 4-[2-(4-butylphenyl)ethynyl]benzoate Openeye Name: 1-phenylethyl 4-[2-(4-butylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-[2-(4-butylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid 1-phenylethyl ester Formula: C27H26O2 MolecularWeight: 382.49414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC(C)C3=CC=CC=C3

InChI

InChI=1S/C27H26O2/c1-3-4-8-22-11-13-23(14-12-22)15-16-24-17-19-26(20-18-24)27(28)29-21(2)25-9-6-5-7-10-25/h5-7,9-14,17-21H,3-4,8H2,1-2H3