[(E)-4-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-4-pyridin-3-yl-but-3-enyl] ethanoate

Systemtic Name: [(E)-4-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-4-pyridin-3-yl-but-3-enyl] ethanoate Openeye Name: [(E)-4-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-4-(3-pyridyl)but-3-enyl] acetate CAS Name: acetic acid [(E)-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-4-(3-pyridinyl)but-3-enyl] ester IUPAC Name: [(E)-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-4-pyridin-3-ylbut-3-enyl] acetate Traditional Name: acetic acid [(E)-4-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-4-(3-pyridyl)but-3-enyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)OC)C(=CCCOC(=O)C)C2=CN=CC=C2)C)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1C)OC)/C(=C/CCOC(=O)C)/C2=CN=CC=C2)C)OC

InChI

InChI=1S/C22H27NO4/c1-14-15(2)22(26-6)20(16(3)21(14)25-5)19(10-8-12-27-17(4)24)18-9-7-11-23-13-18/h7,9-11,13H,8,12H2,1-6H3/b19-10+