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

Systemtic Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyrimidin-2-yl]acetate CAS Name: 2-[5-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl]acetate IUPAC Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyrimidin-2-yl]acetate Formula: C19H17N2O3- MolecularWeight: 321.34988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C#CC3=CN=C(N=C3)CC(=O)[O-])C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C#CC3=CN=C(N=C3)CC(=O)[O-])C

InChI

InChI=1S/C19H18N2O3/c1-19(2)7-8-24-16-6-5-13(9-15(16)19)3-4-14-11-20-17(21-12-14)10-18(22)23/h5-6,9,11-12H,7-8,10H2,1-2H3,(H,22,23)/p-1