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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4/c1-2-16-31-23-14-8-19(9-15-23)17-21(18-27)25(29)28-22-12-10-20(11-13-22)26(30)32-24-6-4-3-5-7-24/h8-15,17,24H,2-7,16H2,1H3,(H,28,29)/b21-17+