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

Systemtic Name: ethyl 3-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-3-5-13-29-21-11-9-17(10-12-21)14-19(16-24)22(26)25-20-8-6-7-18(15-20)23(27)28-4-2/h6-12,14-15H,3-5,13H2,1-2H3,(H,25,26)/b19-14+