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

Systemtic Name: 2-[6-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4-diethylchroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(4,4-diethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4-diethylchroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CC(=O)[O-])CC

InChI

InChI=1S/C22H23NO3/c1-3-22(4-2)11-12-26-20-10-7-16(13-19(20)22)5-8-18-9-6-17(15-23-18)14-21(24)25/h6-7,9-10,13,15H,3-4,11-12,14H2,1-2H3,(H,24,25)/p-1