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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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