2-[5-[2-(2,2,3-trimethyl-3,4-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(2,2,3-trimethyl-3,4-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: 2-[5-[2-(2,2,3-trimethylchroman-6-yl)ethynyl]pyrimidin-2-yl]acetate CAS Name: 2-[5-[2-(2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl]acetate IUPAC Name: 2-[5-[2-(2,2,3-trimethyl-3,4-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]acetate Traditional Name: 2-[5-[2-(2,2,3-trimethylchroman-6-yl)ethynyl]pyrimidin-2-yl]acetate Formula: C20H19N2O3- MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2)C#CC3=CN=C(N=C3)CC(=O)[O-])OC1(C)C

Isomeric SMILES

CC1CC2=C(C=CC(=C2)C#CC3=CN=C(N=C3)CC(=O)[O-])OC1(C)C

InChI

InChI=1S/C20H20N2O3/c1-13-8-16-9-14(6-7-17(16)25-20(13,2)3)4-5-15-11-21-18(22-12-15)10-19(23)24/h6-7,9,11-13H,8,10H2,1-3H3,(H,23,24)/p-1