methyl 4-[[3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(4-butoxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-butoxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-4-6-13-31-21-12-7-17(15-22(21)30-5-2)14-19(16-25)23(27)26-20-10-8-18(9-11-20)24(28)29-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,26,27)