(4-hexoxy-2,3,5-trimethyl-phenyl) pyridine-3-carboxylate

Systemtic Name: (4-hexoxy-2,3,5-trimethyl-phenyl) pyridine-3-carboxylate Openeye Name: (4-hexoxy-2,3,5-trimethyl-phenyl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (4-hexoxy-2,3,5-trimethylphenyl) ester IUPAC Name: (4-hexoxy-2,3,5-trimethylphenyl) pyridine-3-carboxylate Traditional Name: nicotinic acid (4-hexoxy-2,3,5-trimethyl-phenyl) ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1C)OC(=O)C2=CN=CC=C2)C)C

Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1C)OC(=O)C2=CN=CC=C2)C)C

InChI

InChI=1S/C21H27NO3/c1-5-6-7-8-12-24-20-15(2)13-19(16(3)17(20)4)25-21(23)18-10-9-11-22-14-18/h9-11,13-14H,5-8,12H2,1-4H3