[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate

Systemtic Name: [5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Openeye Name: [5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyrimidin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(4,4,7-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl] ester IUPAC Name: [5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyrimidin-2-yl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2C)OCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2C)OCCC3(C)C

InChI

InChI=1S/C22H24N2O3/c1-5-6-20(25)27-21-23-13-16(14-24-21)7-8-17-12-18-19(11-15(17)2)26-10-9-22(18,3)4/h11-14H,5-6,9-10H2,1-4H3