[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl] butanoate

Systemtic Name: [6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl] butanoate Openeye Name: [6-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-3-pyridyl] butanoate CAS Name: butanoic acid [6-[2-(7-hexyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C30H39NO3 MolecularWeight: 461.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)OC(=O)CCC)C(CC(O2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)OC(=O)CCC)C(CC(O2)(C)C)(C)C

InChI

InChI=1S/C30H39NO3/c1-7-9-10-11-13-22-19-27-26(29(3,4)21-30(5,6)34-27)18-23(22)14-15-24-16-17-25(20-31-24)33-28(32)12-8-2/h16-20H,7-13,21H2,1-6H3