ethyl 2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyrazin-2-yl]acetate CAS Name: 2-[5-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyrazin-2-yl]acetic acid ethyl ester Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CC(=O)OCC)C(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CC(=O)OCC)C(CCO2)(CC)CC

InChI

InChI=1S/C29H38N2O3/c1-5-9-10-11-12-22-18-27-26(29(6-2,7-3)15-16-34-27)17-23(22)13-14-24-20-31-25(21-30-24)19-28(32)33-8-4/h17-18,20-21H,5-12,15-16,19H2,1-4H3