methyl (E)-2-(cyanomethyl)-3-(5-methyl-2-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(cyanomethyl)-3-(5-methyl-2-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-benzyloxy-5-methyl-phenyl)-2-(cyanomethyl)prop-2-enoate CAS Name: (E)-2-(cyanomethyl)-3-(5-methyl-2-phenylmethoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(cyanomethyl)-3-(5-methyl-2-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-benzoxy-5-methyl-phenyl)-2-(cyanomethyl)acrylic acid methyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C=C(CC#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)/C=C(\CC#N)/C(=O)OC

InChI

InChI=1S/C20H19NO3/c1-15-8-9-19(24-14-16-6-4-3-5-7-16)18(12-15)13-17(10-11-21)20(22)23-2/h3-9,12-13H,10,14H2,1-2H3/b17-13+