2-methylpropyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-phenyl-acryloyl]amino]benzoic acid isobutyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H20N2O3/c1-15(2)14-26-21(25)17-8-10-19(11-9-17)23-20(24)18(13-22)12-16-6-4-3-5-7-16/h3-12,15H,14H2,1-2H3,(H,23,24)/b18-12+