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

Systemtic Name: 5-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Openeye Name: 5-[5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyrazin-2-yl]pentanoate CAS Name: 5-[5-[2-(4,4,7-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrazinyl]pentanoate IUPAC Name: 5-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyrazin-2-yl]valerate Formula: C23H25N2O3- MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CCCCC(=O)[O-])C(CCO2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CCCCC(=O)[O-])C(CCO2)(C)C

InChI

InChI=1S/C23H26N2O3/c1-16-12-21-20(23(2,3)10-11-28-21)13-17(16)8-9-19-15-24-18(14-25-19)6-4-5-7-22(26)27/h12-15H,4-7,10-11H2,1-3H3,(H,26,27)/p-1