(4-tert-butylphenyl)methyl 2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-cyano-3-phenyl-prop-2-enoate Openeye Name: (4-tert-butylphenyl)methyl 2-cyano-3-phenyl-prop-2-enoate CAS Name: 2-cyano-3-phenyl-2-propenoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid (4-tert-butylbenzyl) ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2/c1-21(2,3)19-11-9-17(10-12-19)15-24-20(23)18(14-22)13-16-7-5-4-6-8-16/h4-13H,15H2,1-3H3