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

Systemtic Name: 2-[6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]-3-pyridyl]acetic acid CAS Name: 2-[6-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]acetic acid Traditional Name: 2-[6-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]-3-pyridyl]acetic acid Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3/c1-4-7-8-9-10-22-19-26-25(28(5-2,6-3)15-16-32-26)18-23(22)12-14-24-13-11-21(20-29-24)17-27(30)31/h11,13,18-20H,4-10,15-17H2,1-3H3,(H,30,31)