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

Systemtic Name: 2-[[(E)-3-(2-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(2-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(2-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(2-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(2-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=CC=C1C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-2-3-12-27-19-11-7-4-8-15(19)13-16(14-22)20(24)23-18-10-6-5-9-17(18)21(25)26/h4-11,13H,2-3,12H2,1H3,(H,23,24)(H,25,26)/b16-13+