(4-pyridin-2-ylphenyl)methyl hex-5-ynoate

Systemtic Name: (4-pyridin-2-ylphenyl)methyl hex-5-ynoate Openeye Name: [4-(2-pyridyl)phenyl]methyl hex-5-ynoate CAS Name: 5-hexynoic acid [4-(2-pyridinyl)phenyl]methyl ester IUPAC Name: (4-pyridin-2-ylphenyl)methyl hex-5-ynoate Traditional Name: hex-5-ynoic acid [4-(2-pyridyl)benzyl] ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)OCC1=CC=C(C=C1)C2=CC=CC=N2

Isomeric SMILES

C#CCCCC(=O)OCC1=CC=C(C=C1)C2=CC=CC=N2

InChI

InChI=1S/C18H17NO2/c1-2-3-4-8-18(20)21-14-15-9-11-16(12-10-15)17-7-5-6-13-19-17/h1,5-7,9-13H,3-4,8,14H2