(4-heptoxyphenyl)methyl pyridine-3-carboxylate

Systemtic Name: (4-heptoxyphenyl)methyl pyridine-3-carboxylate Openeye Name: (4-heptoxyphenyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (4-heptoxyphenyl)methyl ester IUPAC Name: (4-heptoxyphenyl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (4-heptoxybenzyl) ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H25NO3/c1-2-3-4-5-6-14-23-19-11-9-17(10-12-19)16-24-20(22)18-8-7-13-21-15-18/h7-13,15H,2-6,14,16H2,1H3