2-[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4,7-triethylchroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(4,4,7-triethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4,7-triethylchroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C24H26NO3- MolecularWeight: 376.46814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CCO2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CCO2)(CC)CC

InChI

InChI=1S/C24H27NO3/c1-4-18-15-22-21(24(5-2,6-3)11-12-28-22)14-19(18)8-10-20-9-7-17(16-25-20)13-23(26)27/h7,9,14-16H,4-6,11-13H2,1-3H3,(H,26,27)/p-1