methyl (E)-2-(cyanomethyl)-3-(3-ethoxy-2-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(cyanomethyl)-3-(3-ethoxy-2-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-benzyloxy-3-ethoxy-phenyl)-2-(cyanomethyl)prop-2-enoate CAS Name: (E)-2-(cyanomethyl)-3-(3-ethoxy-2-phenylmethoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(cyanomethyl)-3-(3-ethoxy-2-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-benzoxy-3-ethoxy-phenyl)-2-(cyanomethyl)acrylic acid methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C=C(CC#N)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)/C=C(\CC#N)/C(=O)OC

InChI

InChI=1S/C21H21NO4/c1-3-25-19-11-7-10-17(14-18(12-13-22)21(23)24-2)20(19)26-15-16-8-5-4-6-9-16/h4-11,14H,3,12,15H2,1-2H3/b18-14+