(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-15(2)17-10-8-16(9-11-17)12-19(13-23)22(26)27-14-20-24-21(25-28-20)18-6-4-3-5-7-18/h3-12,15H,14H2,1-2H3/b19-12+