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

Systemtic Name: [6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]methyl ethanoate Openeye Name: [6-[2-(4,4-dimethylchroman-6-yl)ethynyl]-3-pyridyl]methyl acetate CAS Name: acetic acid [6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]methyl ester IUPAC Name: [6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]methyl acetate Traditional Name: acetic acid [6-[2-(4,4-dimethylchroman-6-yl)ethynyl]-3-pyridyl]methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CN=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CC(=O)OCC1=CN=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C21H21NO3/c1-15(23)25-14-17-5-8-18(22-13-17)7-4-16-6-9-20-19(12-16)21(2,3)10-11-24-20/h5-6,8-9,12-13H,10-11,14H2,1-3H3