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

Systemtic Name: cyclohexyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: cyclohexyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]benzoic acid cyclohexyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C26H28N2O4/c1-2-16-31-24-11-7-6-8-20(24)17-21(18-27)25(29)28-22-14-12-19(13-15-22)26(30)32-23-9-4-3-5-10-23/h6-8,11-15,17,23H,2-5,9-10,16H2,1H3,(H,28,29)/b21-17+