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

Systemtic Name: [5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Openeye Name: [5-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyrimidin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(7-hexyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl] ester IUPAC Name: [5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyrimidin-2-yl] ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)OC(=O)CCC)C(CCO2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)OC(=O)CCC)C(CCO2)(C)C

InChI

InChI=1S/C27H34N2O3/c1-5-7-8-9-11-21-17-24-23(27(3,4)14-15-31-24)16-22(21)13-12-20-18-28-26(29-19-20)32-25(30)10-6-2/h16-19H,5-11,14-15H2,1-4H3