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

Systemtic Name: ethyl 2-[5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC=C(C=N1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCOC(=O)CC1=NC=C(C=N1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C21H22N2O3/c1-4-25-20(24)12-19-22-13-16(14-23-19)6-5-15-7-8-18-17(11-15)21(2,3)9-10-26-18/h7-8,11,13-14H,4,9-10,12H2,1-3H3