ethyl 4-[2-(3-tert-butylphenyl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(3-tert-butylphenyl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(3-tert-butylphenyl)ethynyl]benzoate CAS Name: 4-[2-(3-tert-butylphenyl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-tert-butylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(3-tert-butylphenyl)ethynyl]benzoic acid ethyl ester Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(C)(C)C

InChI

InChI=1S/C21H22O2/c1-5-23-20(22)18-13-11-16(12-14-18)9-10-17-7-6-8-19(15-17)21(2,3)4/h6-8,11-15H,5H2,1-4H3