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

Systemtic Name: butyl 3-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 3-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid butyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-3-5-14-30-23-12-10-19(11-13-23)16-21(18-26)24(28)27-22-9-7-8-20(17-22)25(29)31-15-6-4-2/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,27,28)/b21-16+