4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-2-3-12-27-19-10-4-15(5-11-19)13-17(14-22)20(24)23-18-8-6-16(7-9-18)21(25)26/h4-11,13H,2-3,12H2,1H3,(H,23,24)(H,25,26)/b17-13+