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

Systemtic Name: cyclohexyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: cyclohexyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid cyclohexyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C27H30N2O4/c1-2-3-17-32-24-15-9-20(10-16-24)18-22(19-28)26(30)29-23-13-11-21(12-14-23)27(31)33-25-7-5-4-6-8-25/h9-16,18,25H,2-8,17H2,1H3,(H,29,30)/b22-18+