(2,3,6-trimethylphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (2,3,6-trimethylphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2,3,6-trimethylphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2,3,6-trimethylphenyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)C

InChI

InChI=1S/C21H21NO4/c1-14-5-6-15(2)21(16(14)3)26-20(23)10-8-17-7-9-18(25-12-11-22)19(13-17)24-4/h5-10,13H,12H2,1-4H3/b10-8+