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

Systemtic Name: 5-[5-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Openeye Name: 5-[5-[2-(4,4-diethylchroman-6-yl)ethynyl]pyrazin-2-yl]pentanoate CAS Name: 5-[5-[2-(4,4-diethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrazinyl]pentanoate IUPAC Name: 5-[5-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-diethylchroman-6-yl)ethynyl]pyrazin-2-yl]valerate Formula: C24H27N2O3- MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C=C2)C#CC3=CN=C(C=N3)CCCCC(=O)[O-])CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C=C2)C#CC3=CN=C(C=N3)CCCCC(=O)[O-])CC

InChI

InChI=1S/C24H28N2O3/c1-3-24(4-2)13-14-29-22-12-10-18(15-21(22)24)9-11-20-17-25-19(16-26-20)7-5-6-8-23(27)28/h10,12,15-17H,3-8,13-14H2,1-2H3,(H,27,28)/p-1