ethyl 3-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 3-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]benzoic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-4-27-22(26)18-6-5-7-20(13-18)24-21(25)19(14-23)12-16-8-10-17(11-9-16)15(2)3/h5-13,15H,4H2,1-3H3,(H,24,25)/b19-12+