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

Systemtic Name: ethyl 5-[4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate Openeye Name: ethyl 5-[4-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyrimidin-2-yl]pentanoate CAS Name: 5-[4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate Traditional Name: 5-[4-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyrimidin-2-yl]valeric acid ethyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=NC=CC(=N1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCOC(=O)CCCCC1=NC=CC(=N1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C24H28N2O3/c1-4-28-23(27)8-6-5-7-22-25-15-13-19(26-22)11-9-18-10-12-21-20(17-18)24(2,3)14-16-29-21/h10,12-13,15,17H,4-8,14,16H2,1-3H3