(4-phenylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-phenylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-phenylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (4-phenylbenzyl) ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)OCC#N

InChI

InChI=1S/C25H21NO4/c1-28-24-17-19(9-13-23(24)29-16-15-26)10-14-25(27)30-18-20-7-11-22(12-8-20)21-5-3-2-4-6-21/h2-14,17H,16,18H2,1H3/b14-10+