hexyl 4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: hexyl 4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-p-phenetyl-acryloyl]amino]benzoic acid hexyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-3-5-6-7-16-31-25(29)20-10-12-22(13-11-20)27-24(28)21(18-26)17-19-8-14-23(15-9-19)30-4-2/h8-15,17H,3-7,16H2,1-2H3,(H,27,28)/b21-17+