(4-hexoxy-2,3,6-trimethyl-phenyl) 3-methylpyridine-4-carboxylate

Systemtic Name: (4-hexoxy-2,3,6-trimethyl-phenyl) 3-methylpyridine-4-carboxylate Openeye Name: (4-hexoxy-2,3,6-trimethyl-phenyl) 3-methylpyridine-4-carboxylate CAS Name: 3-methyl-4-pyridinecarboxylic acid (4-hexoxy-2,3,6-trimethylphenyl) ester IUPAC Name: (4-hexoxy-2,3,6-trimethylphenyl) 3-methylpyridine-4-carboxylate Traditional Name: 3-methylisonicotinic acid (4-hexoxy-2,3,6-trimethyl-phenyl) ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C(=C1)C)OC(=O)C2=C(C=NC=C2)C)C)C

Isomeric SMILES

CCCCCCOC1=C(C(=C(C(=C1)C)OC(=O)C2=C(C=NC=C2)C)C)C

InChI

InChI=1S/C22H29NO3/c1-6-7-8-9-12-25-20-13-15(2)21(18(5)17(20)4)26-22(24)19-10-11-23-14-16(19)3/h10-11,13-14H,6-9,12H2,1-5H3