methyl 4-[2-[3,6-bis(2-methylpropyl)pyrazin-2-yl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[3,6-bis(2-methylpropyl)pyrazin-2-yl]ethynyl]benzoate Openeye Name: methyl 4-[2-(3,6-diisobutylpyrazin-2-yl)ethynyl]benzoate CAS Name: 4-[2-[3,6-bis(2-methylpropyl)-2-pyrazinyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3,6-bis(2-methylpropyl)pyrazin-2-yl]ethynyl]benzoate Traditional Name: 4-[2-(3,6-diisobutylpyrazin-2-yl)ethynyl]benzoic acid methyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN=C(C(=N1)C#CC2=CC=C(C=C2)C(=O)OC)CC(C)C

Isomeric SMILES

CC(C)CC1=CN=C(C(=N1)C#CC2=CC=C(C=C2)C(=O)OC)CC(C)C

InChI

InChI=1S/C22H26N2O2/c1-15(2)12-19-14-23-21(13-16(3)4)20(24-19)11-8-17-6-9-18(10-7-17)22(25)26-5/h6-7,9-10,14-16H,12-13H2,1-5H3