2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoic acid Openeye Name: 2-[4-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyrimidin-2-yl]acetic acid CAS Name: 2-[4-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl]acetic acid IUPAC Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]acetic acid Traditional Name: 2-[4-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyrimidin-2-yl]acetic acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NC(=NC=C3)CC(=O)O)C(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NC(=NC=C3)CC(=O)O)C(CCO2)(CC)CC

InChI

InChI=1S/C27H34N2O3/c1-4-7-8-9-10-20-18-24-23(27(5-2,6-3)14-16-32-24)17-21(20)11-12-22-13-15-28-25(29-22)19-26(30)31/h13,15,17-18H,4-10,14,16,19H2,1-3H3,(H,30,31)