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

Systemtic Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyrazin-2-yl]pentanoate CAS Name: 5-[5-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyrazin-2-yl]valeric acid ethyl ester Formula: C32H44N2O3 MolecularWeight: 504.70336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O3/c1-5-9-10-11-14-25-22-30-29(32(6-2,7-3)19-20-37-30)21-26(25)17-18-28-24-33-27(23-34-28)15-12-13-16-31(35)36-8-4/h21-24H,5-16,19-20H2,1-4H3