N-[4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-2,5-diethoxy-phenyl]benzamide

Systemtic Name: N-[4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-2,5-diethoxy-phenyl]benzamide Openeye Name: N-[4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-2,5-diethoxy-phenyl]benzamide CAS Name: N-[4-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-2,5-diethoxyphenyl]benzamide IUPAC Name: N-[4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide Traditional Name: N-[4-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-2,5-diethoxy-phenyl]benzamide Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C(=C2)OCC)NC(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C(=C2)OCC)NC(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C31H33N3O5/c1-4-7-17-39-25-15-13-22(14-16-25)18-24(21-32)31(36)34-27-20-28(37-5-2)26(19-29(27)38-6-3)33-30(35)23-11-9-8-10-12-23/h8-16,18-20H,4-7,17H2,1-3H3,(H,33,35)(H,34,36)/b24-18+