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

Systemtic Name: cyclohexyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: cyclohexyl 4-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]benzoic acid cyclohexyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C26H28N2O3/c1-18(2)20-10-8-19(9-11-20)16-22(17-27)25(29)28-23-14-12-21(13-15-23)26(30)31-24-6-4-3-5-7-24/h8-16,18,24H,3-7H2,1-2H3,(H,28,29)/b22-16+