(2,5-dimethylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (2,5-dimethylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2,5-dimethylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2,5-dimethylbenzyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-15-4-5-16(2)18(12-15)14-26-21(23)9-7-17-6-8-19(25-11-10-22)20(13-17)24-3/h4-9,12-13H,11,14H2,1-3H3/b9-7+